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CHEBI:186733 - N-(9,12-octadecadienoyl)-glutamic acid

ChEBI IDCHEBI:186733
ChEBI NameN-(9,12-octadecadienoyl)-glutamic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H39NO5
Net Charge0
Average Mass409.567
Monoisotopic Mass409.28282
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChIInChI=1S/C23H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(25)24-20(23(28)29)18-19-22(26)27/h6-7,9-10,20H,2-5,8,11-19H2,1H3,(H,24,25)(H,26,27)(H,28,29)/b7-6-,10-9-/t20-/m0/s1
InChIKeyKUOWDMBZTRBDRI-GSNKCQISSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
N-(9,12-octadecadienoyl)-glutamic acid (CHEBI:186733) is a glutamic acid derivative (CHEBI:24315)
IUPAC Name 
(2S)-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]pentanedioic acid
Manual XrefsDatabases
LMFA08020217LIPID MAPS
4948122ChemSpider
Registry NumbersSources
CAS:2601-92-5ChemIDplus