12,13S-EOT (CHEBI:180940)

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CHEBI:180940 - 12,13S-EOT

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ChEBI ID	CHEBI:180940
ChEBI Name	12,13S-EOT
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H28O3
Net Charge	0
Average Mass	292.419
Monoisotopic Mass	292.20384
SMILES	CC/C=C\C[C@@H]1O/C1=C/C=C\CCCCCCCC(=O)O
InChI	InChI=1S/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)/b10-3-,11-8-,17-14+/t16-/m0/s1
InChIKey	YZBZORUZOSCZRN-DSRRMRMISA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS1183)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	12,13S-EOT (CHEBI:180940) is a long-chain fatty acid (CHEBI:15904)

IUPAC Name
(Z,11E)-11-[(3S)-3-[(Z)-pent-2-enyl]oxiran-2-ylidene]undec-9-enoic acid

Manual Xrefs	Databases
4444297	ChemSpider
LMFA02000053	LIPID MAPS