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CHEBI:142697 - N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate

ChEBI IDCHEBI:142697
ChEBI NameN-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate
Stars
ASCII NameN-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate
DefinitionAn N-acyl-(2S)-hydroxyglycinate that is the conjugate base of N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 December 2018
Submitternhn
DownloadsMolfile
FormulaC20H32NO4
Net Charge-1
Average Mass350.479
Monoisotopic Mass350.23368
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]
InChIInChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22)21-19(23)20(24)25/h3-4,6-7,9-10,19,23H,2,5,8,11-17H2,1H3,(H,21,22)(H,24,25)/p-1/b4-3-,7-6-,10-9-/t19-/m0/s1
InChIKeyVULBXMJTZIZSRA-MULKPHPQSA-M
ChEBI Ontology
Outgoing Relation(s)
N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate (CHEBI:142697) is a N-acyl-(2S)-hydroxyglycinate (CHEBI:142687)
N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate (CHEBI:142697) is conjugate base of N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycine (CHEBI:142735)
Incoming Relation(s)
N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycine (CHEBI:142735) is conjugate acid of N-(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl-(2S)-hydroxyglycinate (CHEBI:142697)
IUPAC Name 
(2S)-hydroxy[(9Z,12Z,15Z)-octadeca-9,12,15-trienoylamino]acetate
UniProt Name  Source
N-(9Z,12Z,15Z)-octadecatrienoyl-(2S)-hydroxyglycineUniProt
Citations