Exact Mass: 586.2777832
Exact Mass Matches: 586.2777832
Found 411 metabolites which its exact mass value is equals to given mass value 586.2777832,
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
Baccatin III
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent relative retention time with respect to 9-anthracene Carboxylic Acid is 1.041 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.042 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.019 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.027 Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1]. Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1].
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
Baccatin III
Dalamid
C28H38N6O6S (586.2573408000001)
D018377 - Neurotransmitter Agents > D018847 - Opioid Peptides D018377 - Neurotransmitter Agents > D004745 - Enkephalins
Dihydroouabain
D020011 - Protective Agents > D002316 - Cardiotonic Agents > D002301 - Cardiac Glycosides D020011 - Protective Agents > D002316 - Cardiotonic Agents > D013328 - Strophanthins
N-[1-[4-[(2,4-Dimethoxyphenyl)methyl]-5-(2-phenylethyl)-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]pyridine-2-carboxamide
Baccatin_III
Baccatin III is a tetracyclic diterpenoid isolated from plant species of the genus Taxus. It has a role as a plant metabolite. It is a tetracyclic diterpenoid, an acetate ester and a benzoate ester. It derives from a hydride of a taxane. Baccatin III is a natural product found in Corylus avellana, Taxus wallichiana, and other organisms with data available. Baccatin III is a compound obtained from the needles of the Taxus baccata tree that is used as a precursor of paclitaxel. C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent A tetracyclic diterpenoid isolated from plant species of the genus Taxus. Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1]. Baccatin III is a natural product isolated from Pacific yew tree and related species. Baccatin III reduces tumor progression by inhibiting the accumulation and suppressive function of MDSCs[1].
17-(3,4,5-Trimethoxycinnamoyl)vincamajine
C34H38N2O7 (586.2678877999999)
3beta-hydroxyresiniferonol-6alpha,7alpha-epoxy-12beta-acetoxy-9,13,14-ortho-2E,4E-decadienoate|Yuanhuadin|yuanhuadine
rel-2-{2,6-dimethoxy-4-{tetrahydro-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-(hydroxymethyl)furan-2-yl}phenoxy}-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol|seslignanoccidentaliol A
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
(-)-rel-(4R,4aR,7aS,8R,10R,11S,11aS,12aR)-10,11-bis(acetyloxy)-4-(furan-3-yl)dodecahydro-4a,7a,9,9-tetramethyl-13-methylene-2,7-dioxo-6,12a-methano-4H,12aH-pyrano[4,3-b][1]benzoxocin-8-acetic acid methyl ester|cipadesin H|cipatrijugin F
5,7,3,4-tetrahydroxy-8,5-bis(3-methylbut-2-enyl)flavanone-3-O-alpha-L-rhamnopyranoside|dilobenol C
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
(rel-1R,3aS,3bR,4R,5aR,7aR,8aS,11aS,13aR,15R,15aS,16aR,16bR,17aS)-15-(acetyloxy)tetradecahydro-1,4,5a,13,13-pentamethyl-2H,8H-7a,16a-epoxy-10H-3,9,12,17-tetraoxacyclopent[3,3a]azuleno[6,5:5,6]cyclooct[1,2,3-cd]-as-indacene-2,5,10,16(1H,13H)-tetrone|lancifodilactone Q
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
2-(4-{[(3-ethyl-heptanoyl)oxy]methyl}phenyl)-5,8-dimethoxy-4-oxo-4H-chromen-7-yl 4-methylbenzoate|prunusin B
(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
JMV3002
Gln His Phe Arg
C26H38N10O6 (586.2975647999999)
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
C31H38O11_7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-4,9,11-trihydroxy-4a,8,13,13-tetramethyl-, (2aR,4aS,6R,9S,11S,12S,12aR,12bS)
(1S,2S,3R,4S,7R,10S,12R,15S)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
Trimethoxy-3,4,5-cinnamate-vincamajine
C34H38N2O7 (586.2678877999999)
Anthranoyllycoctonine
Origin: Plant; SubCategory_DNP: Terpenoid alkaloids, Diterpene alkaloid, Aconitum alkaloid Annotation level-1
(1S,2S,3R,4S,7R,10S,12R,15S)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹?.0?,?]heptadec-13-en-2-yl benzoate
Glu Ile Tyr Tyr
Glu Leu Tyr Tyr
Glu Pro Arg Trp
Glu Pro Trp Arg
Glu Arg Pro Trp
Glu Arg Trp Pro
Glu Trp Pro Arg
Glu Trp Arg Pro
Glu Tyr Ile Tyr
Glu Tyr Leu Tyr
Glu Tyr Tyr Ile
Glu Tyr Tyr Leu
Phe Phe His His
Phe His Phe His
Phe His His Phe
Phe His Gln Arg
C26H38N10O6 (586.2975647999999)
Phe His Arg Gln
C26H38N10O6 (586.2975647999999)
Phe Gln His Arg
C26H38N10O6 (586.2975647999999)
Phe Gln Arg His
C26H38N10O6 (586.2975647999999)
Phe Arg His Gln
C26H38N10O6 (586.2975647999999)
Phe Arg Gln His
C26H38N10O6 (586.2975647999999)
His Phe Phe His
His Phe His Phe
His Phe Gln Arg
C26H38N10O6 (586.2975647999999)
His Phe Arg Gln
C26H38N10O6 (586.2975647999999)
His His Phe Phe
His His Met Tyr
His His Tyr Met
His Met His Tyr
His Met Asn Trp
His Met Trp Asn
His Met Tyr His
His Asn Met Trp
His Asn Trp Met
His Gln Phe Arg
C26H38N10O6 (586.2975647999999)
His Gln Arg Phe
C26H38N10O6 (586.2975647999999)
His Arg Phe Gln
C26H38N10O6 (586.2975647999999)
His Arg Gln Phe
C26H38N10O6 (586.2975647999999)
His Trp Met Asn
His Trp Asn Met
His Tyr His Met
His Tyr Met His
Ile Glu Tyr Tyr
Ile Tyr Glu Tyr
Ile Tyr Tyr Glu
Lys Asn Tyr Tyr
Lys Tyr Asn Tyr
Lys Tyr Tyr Asn
Leu Glu Tyr Tyr
Leu Tyr Glu Tyr
Leu Tyr Tyr Glu
Met His His Tyr
Met His Asn Trp
Met His Trp Asn
Met His Tyr His
Met Asn His Trp
Met Asn Trp His
Met Trp His Asn
Met Trp Asn His
Met Tyr His His
Asn His Met Trp
Asn His Trp Met
Asn Lys Tyr Tyr
Asn Met His Trp
Asn Met Trp His
Asn Gln Tyr Tyr
Asn Trp His Met
Asn Trp Met His
Asn Tyr Lys Tyr
Asn Tyr Gln Tyr
Asn Tyr Tyr Lys
Asn Tyr Tyr Gln
Pro Glu Arg Trp
Pro Glu Trp Arg
Pro Arg Glu Trp
Pro Arg Trp Glu
Pro Val Trp Trp
C32H38N6O5 (586.2903537999999)
Pro Trp Glu Arg
Pro Trp Arg Glu
Pro Trp Val Trp
C32H38N6O5 (586.2903537999999)
Pro Trp Trp Val
C32H38N6O5 (586.2903537999999)
Gln Phe His Arg
C26H38N10O6 (586.2975647999999)
Gln Phe Arg His
C26H38N10O6 (586.2975647999999)
Gln His Arg Phe
C26H38N10O6 (586.2975647999999)
Gln Asn Tyr Tyr
Gln Arg Phe His
C26H38N10O6 (586.2975647999999)
Gln Arg His Phe
C26H38N10O6 (586.2975647999999)
Gln Tyr Asn Tyr
Gln Tyr Tyr Asn
Arg Glu Pro Trp
Arg Glu Trp Pro
Arg Phe His Gln
C26H38N10O6 (586.2975647999999)
Arg Phe Gln His
C26H38N10O6 (586.2975647999999)
Arg His Phe Gln
C26H38N10O6 (586.2975647999999)
Arg His Gln Phe
C26H38N10O6 (586.2975647999999)
Arg Pro Glu Trp
Arg Pro Trp Glu
Arg Gln Phe His
C26H38N10O6 (586.2975647999999)
Arg Gln His Phe
C26H38N10O6 (586.2975647999999)
Arg Trp Glu Pro
Arg Trp Pro Glu
Val Pro Trp Trp
C32H38N6O5 (586.2903537999999)
Val Trp Pro Trp
C32H38N6O5 (586.2903537999999)
Val Trp Trp Pro
C32H38N6O5 (586.2903537999999)
Trp Glu Pro Arg
Trp Glu Arg Pro
Trp His Met Asn
Trp His Asn Met
Trp Met His Asn
Trp Met Asn His
Trp Asn His Met
Trp Asn Met His
Trp Pro Glu Arg
Trp Pro Arg Glu
Trp Pro Val Trp
C32H38N6O5 (586.2903537999999)
Trp Pro Trp Val
C32H38N6O5 (586.2903537999999)
Trp Arg Glu Pro
Trp Arg Pro Glu
Trp Val Pro Trp
C32H38N6O5 (586.2903537999999)
Trp Val Trp Pro
C32H38N6O5 (586.2903537999999)
Trp Trp Pro Val
C32H38N6O5 (586.2903537999999)
Trp Trp Val Pro
C32H38N6O5 (586.2903537999999)
Tyr Glu Ile Tyr
Tyr Glu Leu Tyr
Tyr Glu Tyr Ile
Tyr Glu Tyr Leu
Tyr His His Met
Tyr His Met His
Tyr Ile Glu Tyr
Tyr Ile Tyr Glu
Tyr Lys Asn Tyr
Tyr Lys Tyr Asn
Tyr Leu Glu Tyr
Tyr Leu Tyr Glu
Tyr Met His His
Tyr Asn Lys Tyr
Tyr Asn Gln Tyr
Tyr Asn Tyr Lys
Tyr Asn Tyr Gln
Tyr Gln Asn Tyr
Tyr Gln Tyr Asn
Tyr Tyr Glu Ile
Tyr Tyr Glu Leu
Tyr Tyr Ile Glu
Tyr Tyr Lys Asn
Tyr Tyr Leu Glu
Tyr Tyr Asn Lys
Tyr Tyr Asn Gln
Tyr Tyr Gln Asn
PtdIns-(1,2-dioctanoyl) (sodium salt)
C25H47O13P (586.2754141999999)
3-acetylecdysone 2-phosphate
C29H47O10P (586.2906691999999)
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
Pipacycline
Tetracycline in which a hydrogen attached to the amide nitrogen is substituted by a 4-[(2-hydroxyethyl)piperazin-1-yl]methyl group. C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
Fmoc-Tyr(tBu)-Ser(psi(Me,Me)pro)-OH
C34H38N2O7 (586.2678877999999)
1-Methyl-5-[4-[10-(2-naphthalenyl)-9-anthracenyl]phenyl]-2-phenyl-1H-benzimidazole
O-[2-(Acetylamino)-2-deoxy-alpha-D-galactopyranosyl]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine 1,1-dimethylethyl ester
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)
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.
1,2-Dioctanoyl-sn-glycero-3-phosphoinositol
C25H47O13P (586.2754141999999)
(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
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6S)-5-amino-6-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
beta-1,4-D-mannopyranosyl-beta-1,4-N-acetyl-D-glucosaminyl-beta-1,4-N-acetyl-D-glucosaminylamine
[(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
(2S)-2-amino-N-[[(2S,10R,12S,14S)-12,16,19-trihydroxy-7,14,18-trimethoxy-6,17,21-trimethyl-5,8-dioxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),16,18-pentaen-10-yl]methyl]propanamide
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
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
(3R,3R,4S,5R)-5-(2-hydroxyethyl)-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyl-1-[[3-(2-oxo-3-oxazolidinyl)phenyl]methyl]-2-spiro[indole-3,2-oxolane]one
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
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
C30H42N4O6S (586.2824912000001)
2-[(2R,4aS,12aS)-8-[[(2-methoxyanilino)-oxomethyl]amino]-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-(1,3-dihydroisobenzofuran-5-yl)acetamide
(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
3,4,5-Trihydroxy-6-[5-hydroxy-2-[2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]-4-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[5-hydroxy-4-[2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
[(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
C29H47O10P (586.2906691999999)
[1-hydroxy-3-[hydroxy-(3-hydroxy-2-pentanoyloxypropoxy)phosphoryl]oxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
C29H47O10P (586.2906691999999)
[3-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-octanoyloxypropyl] octanoate
C25H47O13P (586.2754141999999)
[1-Heptanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] nonanoate
C25H47O13P (586.2754141999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-propanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
C29H47O10P (586.2906691999999)
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] dodecanoate
C25H47O13P (586.2754141999999)
[1-Hexanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] decanoate
C25H47O13P (586.2754141999999)
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-pentanoyloxypropan-2-yl] undecanoate
C25H47O13P (586.2754141999999)
[1-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-3-pentanoyloxypropan-2-yl] (3Z,6Z,9Z,12Z,15Z)-octadeca-3,6,9,12,15-pentaenoate
C29H47O10P (586.2906691999999)
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] tridecanoate
C25H47O13P (586.2754141999999)
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] tetradecanoate
C25H47O13P (586.2754141999999)
methyl 2-[(1S,6R,7R,11S,14R,15R,16R,18R)-14,18-diacetyloxy-6-(furan-3-yl)-16-hydroxy-7,11,13,13-tetramethyl-4-oxo-5,17-dioxapentacyclo[13.2.1.01,10.02,7.011,16]octadec-2-en-12-yl]acetate
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
C25H47O13P (586.2754141999999)
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.
methyl 2-[(1r,2s)-2-[(1ar,3r,3ar,4r,5r,6r,7as)-4,5-bis(acetyloxy)-3-[(5r)-5-hydroxy-2-oxo-5h-furan-3-yl]-3a-methyl-7-methylidene-hexahydroindeno[1,7a-b]oxiren-6-yl]-2,6,6-trimethyl-5-oxocyclohex-3-en-1-yl]acetate
methyl (2e)-3-[(1s,2r,4s,7s,8s,11r,12s,16s,17r,18s)-17,18-bis(acetyloxy)-7-(furan-3-yl)-1,8,15,15-tetramethyl-5-oxo-3,6,14-trioxapentacyclo[9.7.0.0²,⁴.0²,⁸.0¹²,¹⁶]octadecan-12-yl]prop-2-enoate
(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
(1s,3r,7r,10s,12s,13r,15s,17r,18s,21r,22s,23s,25s,29s)-9,9,18,23,25-pentamethyl-5,14,19,24-tetraoxo-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosan-12-yl acetate
9,9,18,23,25-pentamethyl-5,14,19,24-tetraoxo-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.1¹⁵,²².0¹,¹³.0³,⁷.0³,¹⁰.0¹⁷,²¹.0²⁵,²⁹]nonacosan-12-yl acetate
(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
2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadecan-16-yl 2-methylpropanoate
C29H43ClO10 (586.2544608000001)
methyl 13-ethylidene-8-methyl-18-{[3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxy}-8,15-diazahexacyclo[14.2.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵.0¹²,¹⁷]nonadeca-2,4,6-triene-17-carboxylate
C34H38N2O7 (586.2678877999999)
methyl 2-[(1s,2s,3r,5r,6r,13r,14s,16s)-3,14-bis(acetyloxy)-6-(furan-3-yl)-13-hydroxy-1,5,15,15-tetramethyl-8,17-dioxo-7-oxatetracyclo[11.3.1.0²,¹¹.0⁵,¹⁰]heptadec-10-en-16-yl]acetate
15-hydroxy-9,9,18,20-tetramethyl-17-(4-methyl-5-oxo-2h-furan-2-yl)-5,14,19-trioxo-4,8,23-trioxahexacyclo[13.7.1.0¹,¹³.0³,⁷.0³,¹⁰.0¹⁶,²⁰]tricosan-12-yl acetate
2-[4-({[(3s)-3-ethylheptanoyl]oxy}methyl)phenyl]-5,8-dimethoxy-4-oxochromen-7-yl 4-methylbenzoate
1-(4-hydroxy-3-methoxyphenyl)-2-{4-[(2r,3s)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2,6-dimethoxyphenoxy}propane-1,3-diol
(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
(1r,2s,3r,4s,7r,9r,10s,12r,15s)-4,12-bis(acetyloxy)-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0³,¹⁰.0⁴,⁷]heptadec-13-en-2-yl benzoate
(1s,2r,3r,4r,7r,8s,12r,13s,16s,17s)-2-(acetyloxy)-8-chloro-3,17-dihydroxy-4,13,17-trimethyl-9-methylidene-5-oxo-12-(propanoyloxy)-6-oxatricyclo[11.4.0.0³,⁷]heptadecan-16-yl 2-methylpropanoate
C29H43ClO10 (586.2544608000001)