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CHEBI:185079 - OKOOA-PE

ChEBI IDCHEBI:185079
ChEBI NameOKOOA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H54NO10P
Net Charge0
Average Mass631.744
Monoisotopic Mass631.34853
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C31H54NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30(35)39-26-29(27-41-43(37,38)40-25-23-32)42-31(36)22-17-19-28(34)20-18-24-33/h9-10,18,20,24,29H,2-8,11-17,19,21-23,25-27,32H2,1H3,(H,37,38)/b10-9-,20-18+/t29-/m1/s1
InChIKeyAIJDATWGBVIZEN-ZEWFGLQISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKOOA-PE (CHEBI:185079) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-5,8-dioxooct-6-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20020044LIPID MAPS
113380863ChemSpider