CHEBI:134015 - cohibin C

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ChEBI Name cohibin C
ChEBI ID CHEBI:134015
Definition A member of the class of cohibins in which the long-chain dihydroxyalkyl group at position 3 is specified as 15,16-dihydroxydotriacont-19-en-1-yl. NB The absolute configuration of the stereocentre at position 5 on the furanone ring is known to be S, but only the relative configuration of the diol moiety has been assigned as threo. It has not yet been established whether it is the (R,R)-diol (as shown here) or the (S,S)-diol.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C37H68O4
Net Charge 0
Average Mass 576.935
Monoisotopic Mass 576.51176
InChI InChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-15-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-13-12-14-17-20-23-26-29-34-32-33(2)41-37(34)40/h21,24,32-33,35-36,38-39H,3-20,22-23,25-31H2,1-2H3/b24-21-/t33-,35+,36+/m0/s1
InChIKey HVFRQLAWDLEDRL-GJPJLVQDSA-N
SMILES CCCCCCCCCCCC/C=C\CC[C@H]([C@@H](CCCCCCCCCCCCCCC1=C[C@H](C)OC1=O)O)O
Metabolite of Species Details
Annona nutans (IPNI:14314-2) Found in root (BTO:0001188). Isolated from the root bark See: PubMed
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Annona muricata (NCBI:txid13337) Found in seed (BTO:0001226). See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via cohibin )
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ChEBI Ontology
Outgoing cohibin C (CHEBI:134015) has role mouse metabolite (CHEBI:75771)
cohibin C (CHEBI:134015) has role rat metabolite (CHEBI:86264)
cohibin C (CHEBI:134015) is a cohibin (CHEBI:134235)
IUPAC Name
(5S)-3-[(15RS,16RS,19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methylfuran-2(5H)-one
Synonym Source
3-[(19Z)-15,16-dihydroxydotriacont-19-en-1-yl]-5-methyl-2,5-dihydrofuran-2-one HMDB
Manual Xrefs Databases
C00047030 KNApSAcK
HMDB0035397 HMDB
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Registry Numbers Types Sources
293735-20-3 CAS Registry Number KNApSAcK
8748283 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
11000017 PubMed citation Europe PMC
Last Modified
16 May 2017