EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169667 - OKODiA-PE

ChEBI IDCHEBI:169667
ChEBI NameOKODiA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H54NO11P
Net Charge0
Average Mass647.743
Monoisotopic Mass647.34345
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C31H54NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-30(36)40-25-28(26-42-44(38,39)41-24-23-32)43-31(37)20-17-18-27(33)21-22-29(34)35/h9-10,21-22,28H,2-8,11-20,23-26,32H2,1H3,(H,34,35)(H,38,39)/b10-9-,22-21+/t28-/m1/s1
InChIKeyURGRUSUUYQAEOW-SAWQOWPESA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
OKODiA-PE (CHEBI:169667) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
(E)-8-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4,8-dioxooct-2-enoic acid
Manual XrefsDatabases
LMGP20020045LIPID MAPS