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CHEBI:176705 - 3-[(17Z)-13,14-Dihydroxy-17-triaconten-1-yl]-5-methyl-2(5H)-furanone

ChEBI IDCHEBI:176705
ChEBI Name3-[(17Z)-13,14-Dihydroxy-17-triaconten-1-yl]-5-methyl-2(5H)-furanone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H64O4
Net Charge0
Average Mass548.893
Monoisotopic Mass548.48046
SMILESCCCCCCCCCCCC/C=C\CCC(O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O
InChIInChI=1S/C35H64O4/c1-3-4-5-6-7-8-9-10-11-12-16-19-22-25-28-33(36)34(37)29-26-23-20-17-14-13-15-18-21-24-27-32-30-31(2)39-35(32)38/h19,22,30-31,33-34,36-37H,3-18,20-21,23-29H2,1-2H3/b22-19-
InChIKeyGFUJWCRMULHYHE-QOCHGBHMSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
ChEBI Ontology
Outgoing Relation(s)
3-[(17Z)-13,14-Dihydroxy-17-triaconten-1-yl]-5-methyl-2(5H)-furanone (CHEBI:176705) is a polyketide (CHEBI:26188)
IUPAC Name 
4-[(Z)-13,14-dihydroxytriacont-17-enyl]-2-methyl-2H-uran-5-one
Manual XrefsDatabases
HMDB0031168HMDB
35013327ChemSpider