Exact Mass: 586.3188
Exact Mass Matches: 586.3188
Found 500 metabolites which its exact mass value is equals to given mass value 586.3188
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Irinotecan
Irinotecan is an antineoplastic enzyme inhibitor primarily used in the treatment of colorectal cancer. It is a derivative of camptothecin that inhibits the action of topoisomerase I. Irinotecan prevents religation of the DNA strand by binding to topoisomerase I-DNA complex, and causes double-strand DNA breakage and cell death. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Same as: D08086
all-trans-Hexaprenyl diphosphate
all-trans-Hexaprenyl diphosphate is the final product of the hexaprenyl diphosphate biosynthesis pathway. In this pathway, multiple units of isopentenyl diphosphate (IPP) undergo a series of polymerizations to form various polyisoprenoids. There are two different pathways for the biosynthesis of IPP. Bacteria that possess ubiquinone generally use the methylerythritol phosphate pathway (MEP), while the eukaryotic microorganisms use the mevalonate pathway. However, exceptions exist. For example, some eukaryotic microbes, like the green algae and the malarial parasite Plasmodium falciparum, appear to utilize the MEP pathway, and some bacteria utilize the mevalonate pathway (Eisenreich01, Eisenreich04). In Saccharomyces cerevisiae S288C, the initial addition of two isoprenyl units to form (E, E)-farnesyl diphosphate is catalyzed by geranyltransferase / dimethylallyltransferase, encoded by FPP1. An additional unit is added by farnesyltranstransferase (encoded by BTS1), resulting in the formation of all-trans-geranyl-geranyl diphosphate. The last enzyme in this pathway is hexaprenyl diphosphate synthase (encoded by COQ1), which adds additional isoprenoid units to a maximal length unique to the organism. In the case of Saccharomyces cerevisiae S288C, it is 6 units. Polyprenyl diphosphate synthase enzymes, such as hexaprenyl diphosphate synthase, are responsible for determining the final length of the tail. When yeast COQ1 mutants are complemented with homologs from other organisms, ubiquinone biosynthesis is restored, but the tail length of the quinone depends on the source of the enzyme. All-trans-hexaprenyl diphosphate is the final product of hexaprenyl diphosphate biosynthesis pathway.In this pathway multiple units of isopentenyl diphosphate (IPP) undergo a series of polymerizations to form various polyisoprenoids.
Presqualene diphosphate
Presqualene diphosphate is an intermediate in the biosynthesis of Terpenoid. It is a substrate for Farnesyl-diphosphate farnesyltransferase. [HMDB]. Presqualene diphosphate is found in many foods, some of which are soft-necked garlic, pomes, roman camomile, and white cabbage. Presqualene diphosphate is an intermediate in the biosynthesis of Terpenoid. It is a substrate for Farnesyl-diphosphate farnesyltransferase.
Phycocyanobilin
Phycocyanobilin is a linear, open-chain tetrapyrrole pigment that belongs to the family of bilins. It serves as a chromophore in various phytochrome photoreceptors found in cyanobacteria, as well as in the chlorosomes of green sulfur bacteria. Phycocyanobilin is a key component of phycobiliproteins, which are water-soluble pigments involved in light harvesting during photosynthesis. **Chemical Structure:** Phycocyanobilin has a molecular formula of C33H36N4O6 and a molecular weight of approximately 596.67 g/mol. Structurally, it consists of a porphyrin backbone with four pyrrole rings connected by methine bridges. The pyrrole rings contain nitrogen atoms that coordinate a central magnesium ion in phycobiliproteins. Unlike chlorophyll, phycocyanobilin has an open-chain structure due to the presence of a double bond between the C-20 and C-21 positions of the macrocyclic ring, which prevents it from forming a fully circular porphyrin ring. **Properties:** - **Color:** Phycocyanobilin imparts a blue color to the phycobiliproteins in which it is bound. The specific color is due to the electronic structure of the phycocyanobilin molecule, which allows it to absorb light in the red region of the visible spectrum, typically around 620-630 nm. - **Solubility:** Unlike many other pigments, phycocyanobilin is water-soluble due to its binding to phycobiliproteins, which enhances its functionality in the thylakoid membranes of cyanobacteria. - **Chemical Reactivity:** Phycocyanobilin can be isomerized and oxidized to form other bilins, such as phycoerythrobilin and phycourobilin, which have different spectral properties and can be found in different phycobiliproteins. **Biological Role:** Phycocyanobilin plays a critical role in the photosynthetic process of cyanobacteria and certain green sulfur bacteria. Its primary functions include: - **Light Harvesting:** In phycobiliproteins like phycocyanin, phycocyanobilin serves as a light-harvesting antenna. It absorbs light energy and transfers it to the photosynthetic reaction centers, where it is used to drive the synthesis of ATP and NADPH. - **Photoregulation:** In cyanobacteria, phycocyanobilin is also involved in the regulation of photosynthesis through the action of phytochrome-like photoreceptors. These photoreceptors can switch between a Pr (red-absorbing) and a Pfr (far-red-absorbing) form in response to light, regulating gene expression and various metabolic processes. **Synthesis:** Phycocyanobilin is synthesized from the amino acid L-arginine through a series of enzymatic reactions that include the production of 5-aminolevulinic acid (ALA), which is then transformed into protoporphyrin IX. The protoporphyrin IX is subsequently modified to form phycocyanobilin, a process that involves the removal of the macrocyclic ring and the introduction of the double bond at the C-20 and C-21 positions. In summary, phycocyanobilin is an essential pigment for the photosynthetic apparatus of certain photosynthetic organisms, contributing to their ability to capture and utilize light energy for the production of organic compounds. Its unique structure and properties allow it to perform a variety of functions that are critical to the survival and ecological success of these organisms.
(2R,3Z)-Phycocyanobilin
7-Ethyl-10-[4-(1-piperidino)-1-piperidino]carbonyloxycamptothecin
Inuline
Triethylene glycol bis(3-tert-butyl-4-hydroxy-5-methylphenyl)propionate
Bax inhibitor peptide V5
Dihydroouabain
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins
3beta-hydroxyresiniferonol-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-2E,4E-decadienoate|Yuanhuadin|yuanhuadine
6alpha,7alpha-epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one|subtoxin B
ethyl (3beta,7beta)-3-(acetyloxy)-7-hydroxy-11,15,23-trioxolanost-8-en-26-oate|ethyl 3-O-acetylganoderate B
N1C(=O)C(CC)=C(C)C1=CC(C(=C1CCC(O)=O)C)=NC1=CC1=C(CCC(O)=O)C(C)=C(C=C2C(=C(C)C(=O)N2)CC)N1
14-hydroxyplagiochiline-A-15-yl 2E,4E,8Z-tetradecatrienoate
17-defurano-17-(5xi-2,5-dihydroxy-5-hydroxy-2-oxofuran-3-yl)-2?,3?-dehydrosalannol|methyl (2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-[(5xi)-2,5-dihydro-5-hydroxy-2-oxofuran-3-yl]-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-3-hydroxy-2a,5a,6a,7-tetramethyl-5-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2H,3H-cyclopenta[d]naphtho[2,3-b:1,8-bc]difuran-6-acetate
methyl-3beta-tigloyloxy-2,6-dihydroxy-1-oxomeliac-8(30)-enate
3beta,12alpha-diacetoxy-7,8-dihydro-22,25-oxidoholothurinogenin
3-methyl-2-(3-methyl-1-oxobutoxy)butanoic acid [(1S,4aR,6S,7S,7aS)-6-acetyloxy-7-ethoxy-1,4a,5,6,7,7a-hexahydro-4a-hydroxy-7-(hydroxymethyl)-1-(3-methyl-1-oxobutoxy)cyclopenta[c]pyran-4-yl]methyl ester|valeriotriate
trichanolide
A limonoid based on a mexicanolide-type skeleton isolated from Trichilia connaroides.
7beta,16alpha-acetoxy-4beta,20R-dihydroxy-5beta,6beta-epoxy-1-oxo-witha-2,24-dienolide|7beta,16alpha-diacetoxywithanolide D|7??,16??-Diacetoxy withanolide D
(22R,24R,25R,26Phi)-1-oxo-22,26-epoxy-24-O-methyl-3beta,17alpha,24,25,26-pentahydroxyergost-5-ene 3-O-sulfate|cilistol w
(4S,5S,6S,8S,9S,10R,13R,14S,16S,17Z)-6,16-diacetoxy-25-hydroxy-3,7-dioxo-29-nordammara-1,17(20)-dien-21-oic acid
3-(3-methoxy-4-hydroxybenzoyloxy)-6-oxotingenol|milicifoline A
24,25,26,27-tetranor-apotirucalla-(apoeupha)-6alpha-O-methyl,7alpha-senecioyl(7-deacetyl)-11alpha,12alpha,21,23-tetrahydroxy-21,23-epoxy-2,14,20(22)-trien-1,16-dione|meliatetraolenone
Gln His Phe Arg
Lys His Phe Arg
Irinotecan
L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CE - Topoisomerase 1 (top1) inhibitors D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059004 - Topoisomerase I Inhibitors D004791 - Enzyme Inhibitors Same as: D08086
MLS000863563-01!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone
1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone
C31H46N4O7_2H-Pyrido[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10(3H,12H)-tetrone, 3-(7,8-dihydroxy-6-oxooctyl)octahydro-9-(1-methylpropyl)-6-(phenylmethyl)
Anthranoyllycoctonine
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Annotation level-1
1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone [IIN-based: Match]
1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone [IIN-based on: CCMSLIB00000848942]
Glu Pro Arg Trp
Glu Pro Trp Arg
Glu Arg Pro Trp
Glu Arg Trp Pro
Glu Trp Pro Arg
Glu Trp Arg Pro
Phe His Lys Arg
Phe His Gln Arg
Phe His Arg Lys
Phe His Arg Gln
Phe Lys His Arg
Phe Lys Arg His
Phe Gln His Arg
Phe Gln Arg His
Phe Arg His Lys
Phe Arg His Gln
Phe Arg Lys His
Phe Arg Gln His
His Phe Lys Arg
His Phe Gln Arg
His Phe Arg Lys
His Phe Arg Gln
His Lys Phe Arg
His Lys Arg Phe
His Gln Phe Arg
His Gln Arg Phe
His Arg Phe Lys
His Arg Phe Gln
His Arg Lys Phe
His Arg Gln Phe
Ile Ile Arg Trp
Ile Ile Trp Arg
Ile Leu Arg Trp
Ile Leu Trp Arg
Ile Arg Ile Trp
Ile Arg Leu Trp
Ile Arg Trp Ile
Ile Arg Trp Leu
Ile Trp Ile Arg
Ile Trp Leu Arg
Ile Trp Arg Ile
Ile Trp Arg Leu
Lys Phe His Arg
Lys Phe Arg His
Lys His Arg Phe
Lys Asn Tyr Tyr
Lys Arg Phe His
Lys Arg His Phe
Lys Tyr Asn Tyr
Lys Tyr Tyr Asn
Leu Ile Arg Trp
Leu Ile Trp Arg
Leu Leu Arg Trp
Leu Leu Trp Arg
Leu Arg Ile Trp
Leu Arg Leu Trp
Leu Arg Trp Ile
Leu Arg Trp Leu
Leu Trp Ile Arg
Leu Trp Leu Arg
Leu Trp Arg Ile
Leu Trp Arg Leu
Asn Lys Tyr Tyr
Asn Tyr Lys Tyr
Asn Tyr Tyr Lys
Pro Glu Arg Trp
Pro Glu Trp Arg
Pro Arg Glu Trp
Pro Arg Trp Glu
Pro Val Trp Trp
Pro Trp Glu Arg
Pro Trp Arg Glu
Pro Trp Val Trp
Pro Trp Trp Val
Gln Phe His Arg
Gln Phe Arg His
Gln His Arg Phe
Gln Gln Arg Arg
Gln Arg Phe His
Gln Arg His Phe
Gln Arg Gln Arg
Gln Arg Arg Gln
Arg Glu Pro Trp
Arg Glu Trp Pro
Arg Phe His Lys
Arg Phe His Gln
Arg Phe Lys His
Arg Phe Gln His
Arg His Phe Lys
Arg His Phe Gln
Arg His Lys Phe
Arg His Gln Phe
Arg Ile Ile Trp
Arg Ile Leu Trp
Arg Ile Trp Ile
Arg Ile Trp Leu
Arg Lys Phe His
Arg Lys His Phe
Arg Leu Ile Trp
Arg Leu Leu Trp
Arg Leu Trp Ile
Arg Leu Trp Leu
Arg Pro Glu Trp
Arg Pro Trp Glu
Arg Gln Phe His
Arg Gln His Phe
Arg Gln Gln Arg
Arg Gln Arg Gln
Arg Arg Gln Gln
Arg Trp Glu Pro
Arg Trp Ile Ile
Arg Trp Ile Leu
Arg Trp Leu Ile
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Arg Trp Pro Glu
Val Pro Trp Trp
Val Trp Pro Trp
Val Trp Trp Pro
Trp Glu Pro Arg
Trp Glu Arg Pro
Trp Ile Ile Arg
Trp Ile Leu Arg
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Trp Pro Glu Arg
Trp Pro Arg Glu
Trp Pro Val Trp
Trp Pro Trp Val
Trp Arg Glu Pro
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Trp Val Trp Pro
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Trp Trp Val Pro
3-acetylecdysone 2-phosphate
Presqualene diphosphate
A triterpenyl phosphate that is presqualene in which the hydroxy hydrogen has been replaced by a diphosphate group.
All-trans-hexaprenyl diphosphate
dihydroouabain
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins
n,n-di(n-heptyl)-perylene-tetracarbonic acid, diamide
Antioxidant 245
D013501 - Surface-Active Agents > D011092 - Polyethylene Glycols D001697 - Biomedical and Dental Materials
(5ξ,10β)-10,14-Dihydroxycedr-8-ene-12,15-dioic acid - 9,10,15-trihydroxypentadecanoic acid (1:1)
ethane-1,2-diol,hexanedioic acid,2-hydroxyethyl prop-2-enoate,1-isocyanato-4-[(4-isocyanatocyclohexyl)methyl]cyclohexane
N,N-(1,2-Ethanediylbis(imino-2,1-ethanediyl))bis(9-methyl-1-phenazinecarboxamide)
Bax inhibiting peptide V5 (bip-V5)
Bax inhibitor peptide V5 (BIP-V5) is a Bax-mediated apoptosis inhibitor, used for cancer treatment.
1,11,22-Trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexone
6beta,16beta-Diacetoxy-25-hydroxy-3,7-dioxy-29-nordammara-1,17(20)-dien-21-oic acid
A tetracyclic triterpenoid that is 29-nordammara-1,17(20)-diene substituted by acetoxy groups at positions 6 and 16, a carboxy group at position 21, a hydroxy group at position 25 and oxo groups at positions 3 and 7 respectively. It is isolated from the marine-derived fungal strain Aspergillus sydowii PFW1-13 and exhibits antibacterial activity.
(R)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl [1,4-bipiperidine]-1-carboxylate
(1S,4aS,11aR,12aS)-8-[2-(tert-butylammonio)acetamido]-3-carbamoyl-10-(dimethylamino)-1-(dimethylammonio)-4a,5,7-trihydroxy-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracen-2-olate
[(2S,3S,4S,5R,6S)-2-[(2R,3R,4R,5S)-2-[(1R,2S,3R,4R,5S,6R)-2,4-bis(diaminomethylideneazaniumyl)-3,5,6-trihydroxycyclohexyl]oxy-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-methylazanium
3-[(2E)-2-[[3-(2-carboxylatoethyl)-5-[(3-ethyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methylpyrrol-3-yl]propanoate
[(2Z,6Z,10Z,14Z,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] phosphono hydrogen phosphate
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-3-ethenyl-4-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
[(1S,2R,3S)-2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]cyclopropyl]methyl phosphono hydrogen phosphate
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[[(2S)-4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[[(4R)-3-ethylidene-4-methyl-5-oxopyrrol-2-yl]methylidene]-4-methylpyrrol-3-yl]propanoic acid
6-Benzyl-3-butan-2-yl-9-(7,8-dihydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
tert-butyl 4-benzyl-4-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamoyloxy]piperidine-1-carboxylate
6alpha,7alpha-Epoxy-4beta,5beta,9alpha,20-tetrahydroxy-13alpha-(2E,4E)-tetradeca-2,4-dienoyl-1-tiglien-3-one
A natural product found in Pimelea elongata and Pimelea simplex.
3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3Z)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(4-fluorophenyl)-3-[(3R,9R,10R)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
1-(4-fluorophenyl)-3-[(3R,9S,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-[(2R,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-[(2S,3S)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-(4-fluorophenyl)-3-[(3R,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[(1-naphthalenylamino)-oxomethyl]amino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
1-cyclohexyl-3-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]urea
1-(4-fluorophenyl)-3-[(3R,9R,10S)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-[(2S,3R)-2-[[cyclohexylmethyl(methyl)amino]methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]-3-(1-naphthalenyl)urea
1-(4-fluorophenyl)-3-[(3S,9S,10R)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
1-(4-fluorophenyl)-3-[(3S,9R,10S)-12-[(2S)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-[[methyl(propyl)amino]methyl]-13-oxo-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-16-yl]urea
(3Z)-8,12-bis(2-carboxyethyl)-18-ethenyl-3-ethylidene-2,7,13,17-tetramethyl-2,3,15,16-tetrahydrobiline-1,19(21H,24H)-dione
[(1S,2R,4S,7S,8S,12S,13S,15R,19R)-13,15-diacetyloxy-7-(furan-3-yl)-1,8,12,16,16-pentamethyl-5-oxo-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecan-19-yl] acetate
[(4S,5R,6S,8R,10S,13S,16S,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
[(1S,2R,3R,4S,5R,6S,8R,9S,10R,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
[(1S,4S,5R,6S,8R,9S,13S,16R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-aminobenzoate
[2-Hydroxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropyl] heptadecanoate
[(2R)-1,1,2,3,3-pentadeuterio-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] heptadecanoate
[(2R)-1,1,3,3-tetradeuterio-2-hydroxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] heptadecanoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-propanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[3-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
[1-Heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] nonanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] dodecanoate
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] undecanoate
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] tridecanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] tetradecanoate
2-[[3-acetyloxy-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[2-[(4Z,7Z,10Z,13Z)-hexadeca-4,7,10,13-tetraenoyl]oxy-3-hexanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
2-[[3-butanoyloxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
tigecycline(1+)
An ammonium ion that is the conjugate acid of tigecycline; major species at pH 7.3.
4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3,4:6,7]indolizino[1,2-b]quinolin-9-yl 1,4-bipiperidine-1-carboxylate
1-heptadecanoyl-glycero-3-phospho-(1-myo-inositol)
hexaprenyl diphosphate
A polyprenol diphosphate compound having six prenyl units with undefined stereochemistry about the double bonds.
1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol
A 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as octanoyl.
Dinoflagellate luciferin(2-)
A dicarboxylic acid dianion that results from the removal of a proton from each of the carboxylic acid groups of dinoflagellate luciferin.
6-[3,11-bis(acetyloxy)-7-hydroxy-3a,6,6,9a,11a-pentamethyl-10-oxo-1h,2h,3h,4h,5h,5ah,7h,8h,9h,11h-cyclopenta[a]phenanthren-1-yl]-2-methylhept-2-enoic acid
(1s,2r,5r,6s,8r,10r,11s,12r,14r,15r,16s,19s,21r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
(1s,8r,10r,11s,15r)-21-(acetyloxy)-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylpropanoate
[(1s,2r,3r,4s,5r,6s,8r,9r,10s,13s,16s,17r,18s)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-aminobenzoate
(2r,3s,6r)-2-{3-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]but-3-en-1-yl}-6-(2-hydroxypropan-2-yl)-3-methyloxan-3-ol
(1r,11s,12r,13r,14e,19s,21s)-10-[(2r,3e,12bs)-3-ethylidene-1h,2h,4h,6h,7h,12h,12bh-indolo[2,3-a]quinolizin-2-yl]-14-(2-hydroxyethylidene)-8,16-diazahexacyclo[11.5.2.1¹,⁸.0²,⁷.0¹⁶,¹⁹.0¹²,²¹]henicosa-2,4,6,9-tetraen-11-ol
(2s,3as,3bs,5s,5as,6s,9ar,9bs,11ar)-5-(acetyloxy)-1-[(6s)-6-(2-hydroxypropan-2-yl)-2-oxooxan-3-ylidene]-3a,3b,6,9a-tetramethyl-4,7-dioxo-decahydro-2h-cyclopenta[a]phenanthren-2-yl acetate
2-hydroxy-4,6b,8a,11,12b,14a-hexamethyl-5,10-dioxo-7,8,9,11,12,12a,13,14-octahydropicen-3-yl 4-hydroxy-3-methoxybenzoate
2-(2,16-dimethyl-17-{5-methyl-2-[2-(1h-pyrrol-2-yl)ethenyl]-4,5-dihydro-1,3-oxazol-4-yl}heptadeca-2,4,6,8,10,12,14,16-octaenamido)-3-hydroxy-3-(c-hydroxycarbonimidoyl)propanoic acid
(1r,9r,10r,11s,13s,17r,25s,26s,27r,28e,33s,35r,37e,38r)-28,37-diethylidene-8,14,24,30-tetraazadodecacyclo[25.5.2.2¹¹,¹⁴.1¹,⁸.1¹⁰,¹⁷.0²,⁷.0¹⁰,²⁶.0¹³,¹⁷.0¹⁸,²³.0³⁰,³³.0²⁴,³⁵.0²⁶,³⁸]octatriaconta-2,4,6,18,20,22-hexaene-9,25-diol
1,5,11,15,22,26-hexahydroxy-1,6,11,16,22,27-hexaazacyclodotriaconta-5,15,26-triene-2,12,23-trione
(1s)-4-[(2r,4ar,6r,8as)-6-[(2s,5r)-5-bromo-2,6,6-trimethyloxan-2-yl]-8a-methyl-hexahydro-2h-pyrano[3,2-b]pyran-2-yl]-1-[(2r,5r)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]pent-4-en-1-ol
{[(1s,2s,3s)-2-[(3e)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1e)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
(1r,2r,6s,7s,8r,10s,11s,12r,16s,17r,18r)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-14-(nona-1,3-dien-1-yl)-5-oxo-16-(prop-1-en-2-yl)-9,13,15,19-tetraoxahexacyclo[12.4.1.0¹,¹¹.0²,⁶.0⁸,¹⁰.0¹²,¹⁶]nonadec-3-en-17-yl acetate
anthranoyllycotonine
{"Ingredient_id": "HBIN016292","Ingredient_name": "anthranoyllycotonine","Alias": "NA","Ingredient_formula": "C32H46N2O8","Ingredient_Smile": "CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30611","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
azedarachin c
{"Ingredient_id": "HBIN017446","Ingredient_name": "azedarachin c","Alias": "NA","Ingredient_formula": "C32H42O10","Ingredient_Smile": "CC(C)C(=O)OC1C2(C3CC(C4(C(C3(CO1)C(CC2OC(=O)C)O)C(=O)CC5(C46C(O6)CC5C7=COC=C7)C)C)O)C","Ingredient_weight": "586.67","OB_score": "NA","CAS_id": "157653-66-2","SymMap_id": "NA","TCMID_id": "2055","TCMSP_id": "NA","TCM_ID_id": "6452","PubChem_id": "10348330","DrugBank_id": "NA"}