CHEBI:90694 - 12(S)-HHTrE(1−)

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ChEBI Name 12(S)-HHTrE(1−) ChEBI ID CHEBI:90694 ChEBI ASCII Name 12(S)-HHTrE(1-) Definition A polyunsaturated fatty acid anion that is the conjugate base of 12(S)-HHTrE, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter AnneNiknejad Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H27O3 Net Charge -1 Average Mass 279.395 Monoisotopic Mass 279.19657 InChI InChI=1S/C17H28O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h5-8,11,14,16,18H,2-4,9-10,12-13,15H2,1H3,(H,19,20)/p-1/b7-5-,8-6+,14-11+/t16-/m0/s1 InChIKey KUKJHGXXZWHSBG-WBGSEQOASA-M SMILES C(CC/C=C\C/C=C/C=C/[C@H](CCCCC)O)C(=O)[O-] ChEBI Ontology Outgoing 12(S)-HHTrE(1−) (CHEBI:90694) is a hydroxy polyunsaturated fatty acid anion (CHEBI:131871) 12(S)-HHTrE(1−) (CHEBI:90694) is a long-chain fatty acid anion (CHEBI:57560) 12(S)-HHTrE(1−) (CHEBI:90694) is conjugate base of 12S-HHTrE (CHEBI:63977) Incoming 12S-HHTrE (CHEBI:63977) is conjugate acid of 12(S)-HHTrE(1−) (CHEBI:90694) IUPAC Name (5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoate Synonym Source (12S)-hydroxy-(5Z,8E,10E)-heptadecatrienoate UniProt Citation Type Source 21068195 PubMed citation SUBMITTER Last Modified 03 November 2016