EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187113 - OKDdiA-PE

ChEBI IDCHEBI:187113
ChEBI NameOKDdiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H62NO11P
Net Charge0
Average Mass703.851
Monoisotopic Mass703.40605
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C35H62NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-34(40)44-29-32(30-46-48(42,43)45-28-27-36)47-35(41)24-21-18-15-16-19-22-31(37)25-26-33(38)39/h9-10,25-26,32H,2-8,11-24,27-30,36H2,1H3,(H,38,39)(H,42,43)/b10-9-,26-25+/t32-/m1/s1
InChIKeyRWAZOKCBLDTNCW-LPXPNQGYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
OKDdiA-PE (CHEBI:187113) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-12-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4,12-dioxododec-2-enoic acid
Manual XrefsDatabases
LMGP20020049LIPID MAPS
113380868ChemSpider