EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169407 - PKOOA-PE

ChEBI IDCHEBI:169407
ChEBI NamePKOOA-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H52NO10P
Net Charge0
Average Mass605.706
Monoisotopic Mass605.33288
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(=O)/C=C/C=O
InChIInChI=1S/C29H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-28(33)37-24-27(25-39-41(35,36)38-23-21-30)40-29(34)20-15-17-26(32)18-16-22-31/h16,18,22,27H,2-15,17,19-21,23-25,30H2,1H3,(H,35,36)/b18-16+/t27-/m1/s1
InChIKeyRFLSUNZNGCAQEJ-DRTHVRHMSA-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)
PKOOA-PE (CHEBI:169407) 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] hexadecanoate
Manual XrefsDatabases
LMGP20020022LIPID MAPS