Exact Mass: 627.2913

Exact Mass Matches: 627.2913

Found 208 metabolites which its exact mass value is equals to given mass value 627.2913, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Chitin

N-Acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-beta-D-glucosamine

C24H41N3O16 (627.2487)


Chitin is one of the main components in the cell walls of fungi, the exoskeletons of insects and other arthropods (such as crustaceans) as well as fish and frogs. It is a polysaccharide that is constructed from units of acetylglucosamine (more completely, N-acetyl-D-glucose-2-amine). These are linked together in beta-1,4 fashion (in a similar manner to the glucose units which form cellulose). In effect, chitin may be described as cellulose with one hydroxyl group on each monomer replaced by an acetylamine group. This allows for increased hydrogen bonding between adjacent polymers, giving the polymer increased strength. Chitin is the second most abundant polysaccharide in the world (after cellulose). Chitinases break down chitin and are a part of the defence mechanism of mammals against chitin-containing parasites in lower life forms. Under certain circumstances, chitin can act as an allergen. Research using murine models has shown that chitin is a size-dependent microbial-associated molecular pattern (MAMP) that can induce an immunological response via pattern recognition receptors. Medium-sized chitin micro-particles (CMPs) have been shown to induce inflammation, while small-sized CMPs reduce inflammation. Additionally, mammalian chitinases may play a key role in mediating the T-helper 2 cell-driven inflammatory response that is commonly associated with asthma. The high prevalence of asthma among people working with chitinous substances, such as crabs and fungi, suggests that chitin might be an allergen playing a significant role in the development of asthma. Chitin is an unusual substance as it is a naturally occurring polymer. Its breakdown is conducted by bacteria which have receptors to simple sugars from the decomposition of chitin. If chitin is detected they then produce enzymes to digest the chitin by reducing it to simple sugars and ammonia.

   

Tri-N-acetylchitotriose

N-[(2R,3R,4S,5R)-4-{[(2S,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-4,5-dihydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5,6-trihydroxy-1-oxohexan-2-yl]ethanimidate

C24H41N3O16 (627.2487)


Tri-N-acetylchitotriose is an oligosaccharide that may prevent the action of certain prolamins (antinutritional peptides) from some cereals (e. g. wheat, barley, and rye) that adversely affect in vivo the intestinal mucosa of coeliac patients. (PMID: 10399351) [HMDB] Tri-N-acetylchitotriose is an oligosaccharide that may prevent the action of certain prolamins (antinutritional peptides) from some cereals (e. g. wheat, barley, and rye) that adversely affect in vivo the intestinal mucosa of coeliac patients. (PMID: 10399351). N,N',N''-Triacetylchitotriose is a competitive inhibitor of lysozyme[1].

   

Dabigatran etexilate

ethyl 3-(1-{2-[({4-[amino({[(hexyloxy)carbonyl]imino})methyl]phenyl}amino)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-N-(pyridin-2-yl)formamido)propanoate

C34H41N7O5 (627.3169)


Dabigatran etexilate is an oral prodrug that is metabolized by a serum esterase to dabigatran. It is a synthetic, competitive and reversible direct thrombin inhibitor. Inhibition of thrombin disrupts the coagulation cascade and inhibits the formation of clots. Dabigatran etexilate may be used to decrease the risk of venous thromboembolic events in patients who have undergone total hip or knee replacement surgery, or to prevent stroke and systemic embolism in patients with atrial fibrillation, in whom anticoagulation therapy is indicated. B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents > B01AE - Direct thrombin inhibitors C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C180619 - Direct Oral Anticoagulant C78275 - Agent Affecting Blood or Body Fluid > C263 - Anticoagulant Agent > C173066 - Direct Thrombin Inhibitor D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D015842 - Serine Proteinase Inhibitors D006401 - Hematologic Agents > D000925 - Anticoagulants > D000991 - Antithrombins

   

Boc-val-pro-arg-mca

tert-butyl N-{1-[2-({4-[(diaminomethylidene)amino]-1-[(4-methyl-2-oxo-2H-chromen-7-yl)carbamoyl]butyl}carbamoyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl}carbamate

C31H45N7O7 (627.338)


   

Bulleyaconitine A

11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1^{2,5}.0^{1,10}.0^{3,8}.0^{13,17}]nonadecan-8-yl acetate

C35H49NO9 (627.3407)


   

(Betas)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acid

(Betas)-beta-(((2S)-2-(4,4-Dimethyl-3-((4-((((2-methylphenyl)amino)carbonyl)amino)phenyl)methyl)-2,5-dioxo-1-imidazolidinyl)-4-methyl-1-oxopentyl)amino)benzenepropanoic acid

C35H41N5O6 (627.3057)


   

bulleyaconitine A

[11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

C35H49NO9 (627.3407)


Bulleyaconitine a is a diterpene alkaloid. It is functionally related to an aconitane. Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.

   

Bulleyaconi

[11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate

C35H49NO9 (627.3407)


Bulleyaconitine a is a diterpene alkaloid. It is functionally related to an aconitane. Bulleyaconitine A is an analgesic and antiinflammatory drug isolated from Aconitum plants; has several potential targets, including voltage-gated Na+ channels.

   

Liaconitine C

Liaconitine C

C35H49NO9 (627.3407)


   
   

Cycloaspeptide D

Cycloaspeptide D

C35H41N5O6 (627.3057)


   
   
   

Foresaconitine

[(1S,2R,3R,4S,5R,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate

C35H49NO9 (627.3407)


Foresaconitine is a diterpene alkaloid with formula C35H49NO9 that is isolated from several Aconitum species. It has a role as a plant metabolite, a human urinary metabolite and a xenobiotic. It is an acetate ester, a bridged compound, a diterpene alkaloid, an organic heteropolycyclic compound, a polyether, a tertiary amino compound, a benzoate ester and an aromatic ether. It derives from a hydride of an aconitane. CID 20055981 is a natural product found in Aconitum hemsleyanum, Aconitum forrestii, and Aconitum carmichaelii with data available. A diterpene alkaloid with formula C35H49NO9 that is isolated from several Aconitum species.

   

Cycloaspeptide C

Cycloaspeptide C

C35H41N5O6 (627.3057)


   
   
   

Cycloaspeptide B

Cycloaspeptide B

C35H41N5O6 (627.3057)


   

euphocharacin G

euphocharacin G

C34H45NO10 (627.3043)


   

euphocharacin K

euphocharacin K

C34H45NO10 (627.3043)


   

anisoezochasmaconitine

anisoezochasmaconitine

C35H49NO9 (627.3407)


   

Pro Tyr Ala Tyr Asp

Pro Tyr Ala Tyr Asp

C30H37N5O10 (627.254)


   

Val Thr Tyr Asp Met

Val Thr Tyr Asp Met

C27H41N5O10S (627.2574)


   

primary fluorescent chlorophyll catabolite

primary fluorescent chlorophyll catabolite

C35H39N4O7- (627.2819)


   

BIBR-1048 (Dabigatran)

BIBR-1048 (Dabigatran)

C34H41N7O5 (627.3169)


   

Glu Phe Phe Trp

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Glu Phe Trp Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Glu Trp Phe Phe

(4S)-4-amino-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Phe Glu Phe Trp

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Phe Glu Trp Phe

(4S)-4-[(2S)-2-amino-3-phenylpropanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Phe Phe Glu Trp

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Phe Phe Trp Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]pentanedioic acid

C34H37N5O7 (627.2693)


   

Phe Ile Trp Tyr

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Ile Tyr Trp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Leu Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Leu Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Trp Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Phe Trp Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]pentanedioic acid

C34H37N5O7 (627.2693)


   

Phe Trp Ile Tyr

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Trp Leu Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Trp Tyr Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Phe Trp Tyr Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Phe Tyr Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Tyr Leu Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Phe Tyr Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Phe Tyr Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Ile Phe Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Ile Phe Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Ile Trp Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Ile Trp Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Ile Tyr Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Ile Tyr Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Leu Phe Trp Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Leu Phe Tyr Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Leu Trp Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Leu Trp Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Leu Tyr Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Leu Tyr Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Pro Trp Tyr Tyr

(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(1H-indol-3-yl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]propanoic acid

C34H37N5O7 (627.2693)


   

Pro Tyr Trp Tyr

(2S)-3-(4-hydroxyphenyl)-2-[(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-(1H-indol-3-yl)propanamido]propanoic acid

C34H37N5O7 (627.2693)


   

Pro Tyr Tyr Trp

(2S)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-3-(4-hydroxyphenyl)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-(1H-indol-3-yl)propanoic acid

C34H37N5O7 (627.2693)


   

Trp Glu Phe Phe

(4S)-4-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-{[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-2-phenylethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Trp Phe Glu Phe

(4S)-4-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid

C34H37N5O7 (627.2693)


   

Trp Phe Phe Glu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-phenylpropanamido]pentanedioic acid

C34H37N5O7 (627.2693)


   

Trp Phe Ile Tyr

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Trp Phe Leu Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Trp Phe Tyr Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Trp Phe Tyr Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Trp Ile Phe Tyr

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Trp Ile Tyr Phe

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Trp Leu Phe Tyr

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C35H41N5O6 (627.3057)


   

Trp Leu Tyr Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Trp Pro Tyr Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C34H37N5O7 (627.2693)


   

Trp Tyr Phe Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Trp Tyr Phe Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Trp Tyr Ile Phe

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Trp Tyr Leu Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Trp Tyr Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C34H37N5O7 (627.2693)


   

Trp Tyr Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C34H37N5O7 (627.2693)


   

Tyr Phe Ile Trp

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Tyr Phe Leu Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Tyr Phe Trp Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Tyr Phe Trp Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Tyr Ile Phe Trp

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Tyr Ile Trp Phe

(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Tyr Leu Phe Trp

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-phenylpropanamido]-3-(1H-indol-3-yl)propanoic acid

C35H41N5O6 (627.3057)


   

Tyr Leu Trp Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-4-methylpentanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Tyr Pro Trp Tyr

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoic acid

C34H37N5O7 (627.2693)


   

Tyr Pro Tyr Trp

(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoic acid

C34H37N5O7 (627.2693)


   

Tyr Trp Phe Ile

(2S,3S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-3-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Tyr Trp Phe Leu

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-phenylpropanamido]-4-methylpentanoic acid

C35H41N5O6 (627.3057)


   

Tyr Trp Ile Phe

(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-methylpentanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Tyr Trp Leu Phe

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-4-methylpentanamido]-3-phenylpropanoic acid

C35H41N5O6 (627.3057)


   

Tyr Trp Pro Tyr

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanoic acid

C34H37N5O7 (627.2693)


   

Tyr Trp Tyr Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

C34H37N5O7 (627.2693)


   

Tyr Tyr Pro Trp

(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}-3-(1H-indol-3-yl)propanoic acid

C34H37N5O7 (627.2693)


   

Tyr Tyr Trp Pro

(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-(4-hydroxyphenyl)propanamido]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C34H37N5O7 (627.2693)


   

VTYDM

Val-Thr-Tyr-Asp-Met

C27H41N5O10S (627.2574)


   

PYAYD

Pro Tyr Ala Tyr Asp

C30H37N5O10 (627.254)


   

FSLFD

Phe Ser Leu Phe Asp

C31H41N5O9 (627.2904)


   

EFYLG

Glu-Phe-Tyr-Leu-Gly

C31H41N5O9 (627.2904)


   

GAMBOGIC ACID AMIDE

GAMBOGIC ACID AMIDE

C38H45NO7 (627.3196)


   

(g1CNAC)3

N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

C24H41N3O16 (627.2487)


N,N',N''-Triacetylchitotriose is a competitive inhibitor of lysozyme[1].

   

Bouillonamide B

Bouillonamide B

C32H45N5O6S (627.309)


   

Dabigatran etexilate

Dabigatran etexilate mesilate (salt form);Ethyl 3-[[[4-[[[(hexyloxyl)carbonyl]amino]iminomethyl]phenyl]amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl](pyridin-2-yl)amino] propanoate (INN)

C34H41N7O5 (627.3169)


   

MeOSuc-AAPV-AMC

MeOSuc-AAPV-AMC

C31H41N5O9 (627.2904)


   

veratrine hydrochloride

veratrine hydrochloride

C32H50ClNO9 (627.3174)


   

Tetrabenzyl voglibose

Tetrabenzyl voglibose

C38H45NO7 (627.3196)


   

Dabigatran etexilate Impurity R

Dabigatran etexilate Impurity R

C34H41N7O5 (627.3169)


   
   

Triacetylchitotriose

Triacetylchitotriose

C24H41N3O16 (627.2487)


COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

5-Hydroxy-6-S-glutathionyl-7,9,11-eicosatrienoic acid

5-Hydroxy-6-S-glutathionyl-7,9,11-eicosatrienoic acid

C30H49N3O9S (627.3189)


   

GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc

GlcNAc(b1-4)GlcNAc(b1-4)GlcNAc

C24H41N3O16 (627.2487)


   
   

[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxydodecanoyl]amino]-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydecanoate

[(2R,3S,4R,5R,6R)-3-hydroxy-5-[[(3R)-3-hydroxydodecanoyl]amino]-2-(hydroxymethyl)-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydecanoate

C28H54NO12P (627.3383)


   

ethyl N-[(2-{[(4-{N-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate

ethyl N-[(2-{[(4-{N-[(hexyloxy)carbonyl]carbamimidoyl}phenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alaninate

C34H41N7O5 (627.3169)


   

beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc

beta-D-GlcpNAc-(1->3)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc

C24H41N3O16 (627.2487)


   

(S)-2-(4-(2-(2-Hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-N,N,N,N-tetraacetate

(S)-2-(4-(2-(2-Hydroxyethylthio)-acetamido)-benzyl)-1,4,7,10-tetraazacyclododecane-N,N,N,N-tetraacetate

C27H41N5O10S (627.2574)


   

Primary fluorescent chlorophyll catabolite(1-)

Primary fluorescent chlorophyll catabolite(1-)

C35H39N4O7- (627.2819)


A monocarboxylic acid anion that is the conjugate base of primary fluorescent chlorophyll catabolite resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).

   

1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

1-(3,5-dimethyl-4-isoxazolyl)-3-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(4-phenoxyphenyl)methyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]urea

C35H41N5O6 (627.3057)


   

GlcNAc(b1-3)[GlcNAc(b1-6)]GalNAc

GlcNAc(b1-3)[GlcNAc(b1-6)]GalNAc

C24H41N3O16 (627.2487)


   

beta-D-GlcpNAc-(1->4)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc

beta-D-GlcpNAc-(1->4)-[beta-D-GlcpNAc-(1->6)]-alpha-D-GalpNAc

C24H41N3O16 (627.2487)


   

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose

C24H41N3O16 (627.2487)


   

GlcNAc(b1-3)GlcNAc(b1-6)a-GalNAc

GlcNAc(b1-3)GlcNAc(b1-6)a-GalNAc

C24H41N3O16 (627.2487)


   

GalNAcbeta1-4GalNAcbeta1-4GalNAcbeta

GalNAcbeta1-4GalNAcbeta1-4GalNAcbeta

C24H41N3O16 (627.2487)


   

GlcNAc(b1-3)GlcNAc(b1-6)b-GalNAc

GlcNAc(b1-3)GlcNAc(b1-6)b-GalNAc

C24H41N3O16 (627.2487)


   

GlcNAc(b1-4)GlcNAc(b1-4)GalNAc

GlcNAc(b1-4)GlcNAc(b1-4)GalNAc

C24H41N3O16 (627.2487)


   

GlcNAc(b1-3)[GlcNAc(b1-6)]b-GalNAc

GlcNAc(b1-3)[GlcNAc(b1-6)]b-GalNAc

C24H41N3O16 (627.2487)


   

GalNAc(b1-4)GlcNAc(b1-4)GlcNAc

GalNAc(b1-4)GlcNAc(b1-4)GlcNAc

C24H41N3O16 (627.2487)


   

GalNAc(b1-4)GlcNAc(b1-4)b-GlcNAc

GalNAc(b1-4)GlcNAc(b1-4)b-GlcNAc

C24H41N3O16 (627.2487)


   

GlcNAc(b1-3)GlcNAc(b1-6)GalNAc

GlcNAc(b1-3)GlcNAc(b1-6)GalNAc

C24H41N3O16 (627.2487)


   

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose

2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranose

C24H41N3O16 (627.2487)


   

GlcNAc(b1-4)[GlcNAc(b1-6)]b-GalNAc

GlcNAc(b1-4)[GlcNAc(b1-6)]b-GalNAc

C24H41N3O16 (627.2487)


   
   
   
   
   
   

SHexCer 10:0;2O/12:1;O

SHexCer 10:0;2O/12:1;O

C28H53NO12S (627.3288)


   

SHexCer 10:1;2O/12:0;O

SHexCer 10:1;2O/12:0;O

C28H53NO12S (627.3288)


   

2-amino-3-[[3-heptanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[3-heptanoyloxy-2-[(3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H50NO10P (627.3172)


   

2-amino-3-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

2-amino-3-[hydroxy-[2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-pentanoyloxypropoxy]phosphoryl]oxypropanoic acid

C31H50NO10P (627.3172)


   

2-amino-3-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

2-amino-3-[[2-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid

C31H50NO10P (627.3172)


   

N,N,N-triacetylchitotriose

N,N,N-triacetylchitotriose

C24H41N3O16 (627.2487)


N,N',N''-Triacetylchitotriose is a competitive inhibitor of lysozyme[1].

   

leukotriene C3

leukotriene C3

C30H49N3O9S (627.3189)


A leukotriene that is (5S,7E,9E,11Z)-5-hydroxyicosa-7,9,11-trienoic acid in which a glutathionyl group is attached at position 6 via a sulfide linkage.

   

PS(25:5)

PS(14:1_11:4)

C31H50NO10P (627.3172)


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ST 22:3;O8;HexNAc

ST 22:3;O8;HexNAc

C30H45NO13 (627.2891)


   

ST 23:2;O7;HexNAc

ST 23:2;O7;HexNAc

C31H49NO12 (627.3255)


   

ST 26:7;O5;HexNAc

ST 26:7;O5;HexNAc

C34H45NO10 (627.3043)


   

ST 27:6;O4;HexNAc

ST 27:6;O4;HexNAc

C35H49NO9 (627.3407)


   
   

Compound 48/80 (trihydrochloride)

Compound 48/80 (trihydrochloride)

C32H48Cl3N3O3 (627.2761)


Compound 48/80 trihydrochloride (C48/80 trihydrochloride) is a mixture of condensation products of N-methyl-p-methoxyphenethylamine with formaldehyde. Compound 48/80 trihydrochloride is also a histamine releaser and a mast cell degranulator. Compound 48/80 inhibits phosphatidylinositol-specific phospholipase C activity from human platelets [1][2][3].

   

DAMGO (TFA)

DAMGO (TFA)

C28H36F3N5O8 (627.2516)


DAMGO TFA is a μ-opioid receptor (μ-OPR ) selective agonist with a Kd of 3.46 nM for native μ-OPR[1]. DAMGO TFA is a μ-opioid receptor (μ-OPR ) selective agonist with a Kd of 3.46 nM for native μ-OPR[1].

   

Gambogic amide

Gambogic amide

C38H45NO7 (627.3196)


Gambogic amide is a potent and selective agonist of TrkA and also induces its tyrosine phosphorylation and activation of downstream signaling, including Akt and MAPK. Gambogic amide specifically interacts with the cytoplasmic juxtamembrane domain of the TrkA receptor and triggers its dimerization, leading to activation. Gambogic amide has neuroprotective activity preventing glutamate-induced neuronal cell death. Gambogic amide has improved efficacy in a transient middle cerebral artery occlusion model of stroke and could be used to study neurodegenerative diseases and stroke[1].

   

(1s,2r,3r,4s,5r,6s,8r,9r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

(1s,2r,3r,4s,5r,6s,8r,9r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8z)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8z)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

C35H49NO9 (627.3407)


   

methyl 2-[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

methyl 2-[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

C35H49NO9 (627.3407)


   

{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid

{2,12-dihydroxy-4-[3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetic acid

C35H49NO9 (627.3407)


   

(2s,5s,8s,11s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

(2s,5s,8s,11s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

C32H45N5O6S (627.309)


   

13-deoxo-3 alpha-acetyloxytaxine b

13-deoxo-3α-acetyloxytaxine b

C35H49NO9 (627.3407)


{"Ingredient_id": "HBIN001166","Ingredient_name": "13-deoxo-3 alpha-acetyloxytaxine b","Alias": "13-deoxo-3\u03b1-acetyloxytaxine b","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30861;5139","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2'beat,7beta,9alpha-trisdeacetylaustrospicatine

NA

C35H49NO9 (627.3407)


{"Ingredient_id": "HBIN005340","Ingredient_name": "2'beat,7beta,9alpha-trisdeacetylaustrospicatine","Alias": "NA","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "32157","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

2'β,7β,9α-trisdeacetylaustrospicatine

NA

C35H49NO9 (627.3407)


{"Ingredient_id": "HBIN005381","Ingredient_name": "2'\u03b2,7\u03b2,9\u03b1-trisdeacetylaustrospicatine","Alias": "NA","Ingredient_formula": "C35H49NO9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "22014","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}

   

(1s,2r,3r,4r,5s,6s,8s,9r,10r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(1s,2r,3r,4r,5s,6s,8s,9r,10r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(1s,2r,3r,4r,5s,6s,8s,9r,10r,13r,16s,17r,18s)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H45NO10 (627.3043)


   

(2s,5s,8s,11s,14r,15r)-8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

(2s,5s,8s,11s,14r,15r)-8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

C32H45N5O6S (627.309)


   

4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate

4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

C32H45N5O6S (627.309)


   

(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

(2s,3s,3as,4r,7r,8s,12s,13ar)-7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

(2s,3s,3as,4r,7r,8s,12s,13ar)-7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H45NO10 (627.3043)


   

(2s,3s,3ar,4r,7r,8s,12s,13ar)-4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

(2s,3s,3ar,4r,7r,8s,12s,13ar)-4,7-bis(acetyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H45NO10 (627.3043)


   

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

C35H49NO9 (627.3407)


   

(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate

(1s,2r,3r,4s,5r,6s,8r,9r,10r,13s,16s,17r,18r)-4-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-8-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

(3s,6s,9s,12s)-9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

(3s,6s,9s,12s)-9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

C35H41N5O6 (627.3057)


   

methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

methyl 2-{2,12-dihydroxy-4-[3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl}acetate

C35H49NO9 (627.3407)


   

(2s,5s,8s,11s,14s,15s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

(2s,5s,8s,11s,14s,15s)-5-benzyl-4,17-dihydroxy-8,11-diisopropyl-2,6,9,14,15-pentamethyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

C32H45N5O6S (627.309)


   

[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

[(2s,7z,10r,13r,14z,16r)-2,12-dihydroxy-4-[(2s,3r,4e,6e,8e)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetic acid

C35H49NO9 (627.3407)


   

(5s,6s,8r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(5s,6s,8r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one

9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one

C35H41N5O6 (627.3057)


   

(1r,2r,3r,4r,5r,6s,8r,9s,10s,13r,16r,17s,18s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

(1r,2r,3r,4r,5r,6s,8r,9s,10s,13r,16r,17s,18s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

9-benzyl-2,8,14-trihydroxy-3-[(4-hydroxyphenyl)methyl]-6-isopropyl-4,10,12-trimethyl-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecine-5,11-dione

C35H41N5O6 (627.3057)


   

(1s,11s,12r,13r,14e,16s,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

(1s,11s,12r,13r,14e,16s,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

[C40H43N4O3]+ (627.3335)


   

[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylpentanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

[(1e,7e,9e)-3-(2-aminoethyl)-1-(3-ethyl-6-oxo-2,3-dihydropyran-2-yl)-3,6-dihydroxy-10-{3-[(4-methylpentanoyl)oxy]cyclohexyl}deca-1,7,9-trien-4-yl]oxyphosphonic acid

C31H50NO10P (627.3172)


   

methyl 2-[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

methyl 2-[(1r,2s,4s,7e,10r,12r,13r,14e,16r)-2,12-dihydroxy-4-[(2r,3r,4e,6e,8e)-3-hydroxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-1,13-dimethyl-6-oxo-5,17-dioxabicyclo[14.1.0]heptadeca-7,14-dien-10-yl]acetate

C35H49NO9 (627.3407)


   

(3s,6s,9s,12s)-9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one

(3s,6s,9s,12s)-9-benzyl-2,8,11,14-tetrahydroxy-3-[(4-hydroxyphenyl)methyl]-4,12-dimethyl-6-(2-methylpropyl)-3,6,9,12-tetrahydro-1,4,7,10,13-benzopentazacyclohexadecin-5-one

C35H41N5O6 (627.3057)


   

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

(1s,2r,3r,4r,5s,6s,8r,9r,10r,13s,16s,17r,18r)-8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

(1s,11s,12r,13r,14z,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

(1s,11s,12r,13r,14z,19s,21s)-10-{3-ethyl-8-methoxy-6h,7h-indolo[2,3-a]quinolizin-2-yl}-11-hydroxy-14-(2-hydroxyethylidene)-16-methyl-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-16-ium

[C40H43N4O3]+ (627.3335)


   

8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

8-ethoxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-14-en-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

8-benzyl-4,17-dihydroxy-5-isopropyl-2,6,9,11,14-pentamethyl-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentaazabicyclo[16.2.1]henicosa-1(21),3,16,18-tetraene-7,10,13-trione

C32H45N5O6S (627.309)


   

7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

7,13a-bis(acetyloxy)-4-hydroxy-2,9,9,12-tetramethyl-5-methylidene-3-[(2-methylpropanoyl)oxy]-13-oxo-1h,2h,3h,3ah,4h,6h,7h,8h,12h-cyclopenta[12]annulen-8-yl pyridine-3-carboxylate

C34H45NO10 (627.3043)


   

(2s,3s,5r,8r,13s,17s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

(2s,3s,5r,8r,13s,17s)-8-(acetyloxy)-11-ethyl-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-4-yl 4-methoxybenzoate

C35H49NO9 (627.3407)


   

n-[15-benzyl-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-10-(sec-butyl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-hydroxybenzenecarboximidic acid

n-[15-benzyl-14-hydroxy-3,7,13,13-tetramethyl-2,5,9,12-tetraoxo-10-(sec-butyl)-1,4,8,11-tetraoxacyclopentadecan-6-yl]-3-hydroxybenzenecarboximidic acid

C33H41NO11 (627.2679)