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CHEBI:134016 - cohibin D

ChEBI IDCHEBI:134016
ChEBI Namecohibin D
Stars
DefinitionA member of the class of cohibins in which the long-chain dihydroxyalkyl group at position 3 is specified as 13,14-dihydroxydotriacont-17-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.
Last Modified16 May 2017
SubmitterKeeva
DownloadsMolfile
FormulaC37H68O4
Net Charge0
Average Mass576.947
Monoisotopic Mass576.51176
SMILESCCCCCCCCCCCCCC/C=C\CC[C@@H](O)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O
InChIInChI=1S/C37H68O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-24-27-30-35(38)36(39)31-28-25-22-19-16-15-17-20-23-26-29-34-32-33(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
InChIKeyGPRAXHFBRMJBIJ-GJPJLVQDSA-N
Species of MetaboliteComponentSourceComments
Annona nutans (IPNI:14314-2) root (BTO:0001188) PubMed (11000017) Isolated from the root bark
Annona muricata (ncbitaxon:13337) seed (BTO:0001226) PubMed (11000017)
Rattus norvegicus (ncbitaxon:10116) - MetaboLights (MTBLS313)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS313)
Roles Classification
Biological Roles:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
cohibin D (CHEBI:134016) has role mouse metabolite (CHEBI:75771)
cohibin D (CHEBI:134016) has role rat metabolite (CHEBI:86264)
cohibin D (CHEBI:134016) is a cohibin (CHEBI:134235)
IUPAC Name 
(5S)-3-[(13RS,14RS,17Z)-13,14-dihydroxydotriacont-17-en-1-yl]-5-methylfuran-2(5H)-one
Manual XrefsDatabases
C00047031KNApSAcK
Registry NumbersSources
CAS:293735-22-5KNApSAcK
Citations