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CHEBI:186032 - OKODA-PE

ChEBI IDCHEBI:186032
ChEBI NameOKODA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62NO10P
Net Charge0
Average Mass687.852
Monoisotopic Mass687.41113
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC(=O)/C=C/C=O
InChIInChI=1S/C35H62NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-25-34(39)43-30-33(31-45-47(41,42)44-29-27-36)46-35(40)26-21-18-15-16-19-23-32(38)24-22-28-37/h9-10,22,24,28,33H,2-8,11-21,23,25-27,29-31,36H2,1H3,(H,41,42)/b10-9-,24-22+/t33-/m1/s1
InChIKeyRLZMWCOCIJCFAA-VSHKKHLWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKODA-PE (CHEBI:186032) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-9,12-dioxododec-10-enoyl]oxypropyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20020048LIPID MAPS
113380867ChemSpider