CHEBI:136526 - (14S)-HDoHE(1−)

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ChEBI Name (14S)-HDoHE(1−) ChEBI ID CHEBI:136526 ChEBI ASCII Name (14S)-HDoHE(1-) Definition A 14-HDoHE(1−) that is the conjugate base of (14S)-HDoHE, 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 Nevila Nouspikel 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 C22H31O3 Net Charge -1 Average Mass 343.481 Monoisotopic Mass 343.22787 InChI InChI=1S/C22H32O3/c1-2-3-4-5-12-15-18-21(23)19-16-13-10-8-6-7-9-11-14-17-20-22(24)25/h3-4,6-7,10-16,19,21,23H,2,5,8-9,17-18,20H2,1H3,(H,24,25)/p-1/b4-3-,7-6-,13-10-,14-11-,15-12-,19-16+/t21-/m0/s1 InChIKey ZNEBXONKCYFJAF-OUKOMXQNSA-M SMILES C(C([O-])=O)C/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\C/C=C\CC)O Roles Classification Biological Role(s): human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans. (via 14-HDoHE(1-) ) View more via ChEBI Ontology ChEBI Ontology Outgoing (14S)-HDoHE(1−) (CHEBI:136526) is a 14-HDoHE(1−) (CHEBI:90866) (14S)-HDoHE(1−) (CHEBI:136526) is conjugate base of (14S)-HDoHE (CHEBI:137347) (14S)-HDoHE(1−) (CHEBI:136526) is enantiomer of (14R)-HDoHE(1−) (CHEBI:136525) Incoming (14S)-HDoHE (CHEBI:137347) is conjugate acid of (14S)-HDoHE(1−) (CHEBI:136526) (14R)-HDoHE(1−) (CHEBI:136525) is enantiomer of (14S)-HDoHE(1−) (CHEBI:136526) IUPAC Name (4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosa-4,7,10,12,16,19-hexaenoate Synonyms Sources (14S)-HDHA(1−) SUBMITTER (14S)-hydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoate UniProt (4Z,7Z,10Z,12E,14S,16Z,19Z)-14-hydroxydocosahexaenoate ChEBI 14(S)-HDoHE(1−) ChEBI Citation Type Source 25200603 PubMed citation SUBMITTER Last Modified 07 June 2017