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CHEBI:30828 - trans-vaccenate(1−)

ChEBI IDCHEBI:30828
ChEBI Nametrans-vaccenate(1−)
Stars
ASCII Nametrans-vaccenate(1-)
DefinitionA vaccenate(1−) having a trans- double bond.
Last Modified17 May 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC18H33O2
Net Charge-1
Average Mass281.460
Monoisotopic Mass281.24860
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/p-1/b8-7+
InChIKeyUWHZIFQPPBDJPM-BQYQJAHWSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
trans-vaccenate(1−) (CHEBI:30828) has role human metabolite (CHEBI:77746)
trans-vaccenate(1−) (CHEBI:30828) is a octadecenoate (CHEBI:78049)
trans-vaccenate(1−) (CHEBI:30828) is a vaccenate(1−) (CHEBI:50498)
trans-vaccenate(1−) (CHEBI:30828) is conjugate base of trans-vaccenic acid (CHEBI:28727)
Incoming Relation(s)
trans-vaccenic acid (CHEBI:28727) is conjugate acid of trans-vaccenate(1−) (CHEBI:30828)
IUPAC Name 
(11E)-octadec-11-enoate
Synonyms  Source
trans-11-vaccenateChEBI
octadec-11(E)-enoateChEBI
11(E)-vaccenateChEBI
trans-octadec-11-enoateChEBI
trans-11-octadecenoateChEBI
trans-vaccenateChEBI
UniProt Name  Source
(11E)-octadecenoateUniProt