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CHEBI:172135 - zeta-Carotene epoxide

ChEBI IDCHEBI:172135
ChEBI Namezeta-Carotene epoxide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H60O
Net Charge0
Average Mass556.919
Monoisotopic Mass556.46442
SMILESCC(C)=CCC/C(C)=C\CC/C(C)=C/C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(\C)CC/C=C(/C)CCC1OC1(C)C
InChIInChI=1S/C40H60O/c1-32(2)18-13-21-35(5)24-16-27-36(6)25-14-22-33(3)19-11-12-20-34(4)23-15-26-37(7)28-17-29-38(8)30-31-39-40(9,10)41-39/h11-12,14-15,18-20,22-26,29,39H,13,16-17,21,27-28,30-31H2,1-10H3/b12-11+,22-14-,23-15+,33-19+,34-20+,35-24-,36-25+,37-26-,38-29-
InChIKeyWQKGZVZKMBRSEI-KSUSXTEYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000131) MetaboLights (MTBLS2128)
Pooled sample (NCIT:C45910) MetaboLights (MTBLS2128)
ChEBI Ontology
Outgoing Relation(s)
zeta-Carotene epoxide (CHEBI:172135) is a sesquarterpenoid (CHEBI:51961)
IUPAC Name 
3-[(3Z,7Z,9E,11E,13E,15E,17Z,19E,23Z)-3,7,11,16,20,24,28-heptamethylnonacosa-3,7,9,11,13,15,17,19,23,27-decaenyl]-2,2-dimethyloxirane
Manual XrefsDatabases
35013453ChemSpider
HMDB0032126HMDB