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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-(9,12-octadecadienoyl)-glutamic acid
ChEBI ID CHEBI:186733
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H39NO5
Net Charge 0
Average Mass 409.567
Monoisotopic Mass 409.28282
InChI InChI=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
InChIKey KUOWDMBZTRBDRI-GSNKCQISSA-N
SMILES O=C(N[C@@H](CCC(O)=O)C(O)=O)CCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
4948122 ChemSpider
LMFA08020217 LIPID MAPS
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Registry Number Type Source
2601-92-5 CAS Registry Number ChemIDplus