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CHEBI:209938 - Mollisinol B

ChEBI IDCHEBI:209938
ChEBI NameMollisinol B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H34O5
Net Charge0
Average Mass330.465
Monoisotopic Mass330.24062
SMILESCCCCC/C=C/C[C@H](O)[C@H](O)C[C@@H](O)CCCCCC(=O)O
InChIInChI=1S/C18H34O5/c1-2-3-4-5-6-9-12-16(20)17(21)14-15(19)11-8-7-10-13-18(22)23/h6,9,15-17,19-21H,2-5,7-8,10-14H2,1H3,(H,22,23)/b9-6+/t15-,16-,17+/m0/s1
InChIKeyCOUFLNCTYDKASK-UCMYZZLCSA-N
Species of MetaboliteComponentSourceComments
Mollisiaspecies (ncbitaxon:1928189) - DOI (10.1007/s10600-016-1718-0)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mollisinol B (CHEBI:209938) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(E,7S,9R,10S)-7,9,10-trihydroxyoctadec-12-enoic acid
Manual XrefsDatabases
78439715ChemSpider