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CHEBI:169472 - OOB-PE

ChEBI IDCHEBI:169472
ChEBI NameOOB-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H50NO9P
Net Charge0
Average Mass563.669
Monoisotopic Mass563.32232
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC=O
InChIInChI=1S/C27H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-26(30)34-23-25(37-27(31)19-17-21-29)24-36-38(32,33)35-22-20-28/h9-10,21,25H,2-8,11-20,22-24,28H2,1H3,(H,32,33)/b10-9-/t25-/m1/s1
InChIKeyAPSYPNRWQOKMHI-HAAQQRBASA-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)
OOB-PE (CHEBI:169472) is a 1,2-diacyl-sn-glycero-3-phosphoethanolamine (CHEBI:64674)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(4-oxobutanoyloxy)propyl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP20020034LIPID MAPS