CHEBI:196566 - 16:2(2E,4E)(5Me,7Me[S])

ChEBI IDCHEBI:196566
ChEBI Name16:2(2E,4E)(5Me,7Me[S])
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SubmitterMetaboLights
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FormulaC18H32O2
Net Charge0
Average Mass280.452
Monoisotopic Mass280.24023
SMILESCCCCCCCCCC[C@H](C)/C=C(C)/C=C/C(=O)O
InChIInChI=1S/C18H32O2/c1-4-5-6-7-8-9-10-11-12-16(2)15-17(3)13-14-18(19)20/h13-16H,4-12H2,1-3H3,(H,19,20)/b14-13+,17-15+/t16-/m0/s1
InChIKeyJYGBGHZWUDFYIP-UAOWLTOQSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
16:2(2E,4E)(5Me,7Me[S]) (CHEBI:196566) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,4E,6S)-4,6-dimethylhexadeca-2,4-dienoic acid
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