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CHEBI:172787 - Campesteryl alpha-linolenate

ChEBI IDCHEBI:172787
ChEBI NameCampesteryl alpha-linolenate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H76O2
Net Charge0
Average Mass661.112
Monoisotopic Mass660.58453
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(C(C)CCC(C)C(C)C)CCC32)C1
InChIInChI=1S/C46H76O2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-44(47)48-39-30-32-45(6)38(34-39)26-27-40-42-29-28-41(46(42,7)33-31-43(40)45)37(5)25-24-36(4)35(2)3/h9-10,12-13,15-16,26,35-37,39-43H,8,11,14,17-25,27-34H2,1-7H3/b10-9-,13-12-,16-15-
InChIKeySOZHSICUHFFXDQ-YOILPLPUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Campesteryl alpha-linolenate (CHEBI:172787) is a steroid ester (CHEBI:47880)
IUPAC Name 
[17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
HMDB0036286HMDB