EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:210625 - 6R,8R-dihydroxy-9Z,12Z-octadecadienoic acid

ChEBI IDCHEBI:210625
ChEBI Name6R,8R-dihydroxy-9Z,12Z-octadecadienoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O4
Net Charge0
Average Mass312.450
Monoisotopic Mass312.23006
SMILESCCCCC/C=C\C/C=C\[C@H](O)C[C@H](O)CCCCC(=O)O
InChIInChI=1S/C18H32O4/c1-2-3-4-5-6-7-8-9-12-16(19)15-17(20)13-10-11-14-18(21)22/h6-7,9,12,16-17,19-20H,2-5,8,10-11,13-15H2,1H3,(H,21,22)/b7-6-,12-9-/t16-,17+/m0/s1
InChIKeyJEJFTAIQLBEZLI-PIEIVNQGSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31622851)
ChEBI Ontology
Outgoing Relation(s)
6R,8R-dihydroxy-9Z,12Z-octadecadienoic acid (CHEBI:210625) is a lipid (CHEBI:18059)
IUPAC Name 
(6R,8R,9Z,12Z)-6,8-dihydroxyoctadeca-9,12-dienoic acid
Manual XrefsDatabases
81363700ChemSpider