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CHEBI:168631 - PE(P-16:0/17:2(9Z,12Z))

ChEBI IDCHEBI:168631
ChEBI NamePE(P-16:0/17:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H72NO7P
Net Charge0
Average Mass685.968
Monoisotopic Mass685.50464
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChIInChI=1S/C38H72NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(40)46-37(36-45-47(41,42)44-34-32-39)35-43-33-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h9,11,15,17,30,33,37H,3-8,10,12-14,16,18-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b11-9-,17-15-,33-30-/t37-/m1/s1
InChIKeyAYUJKXIJCWGKJO-IDPOGNRSSA-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)
PE(P-16:0/17:2(9Z,12Z)) (CHEBI:168631) is a glycerophosphoethanolamine (CHEBI:36314)
IUPAC Name 
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-hexadec-1-enoxy]propan-2-yl] (9Z,12Z)-heptadeca-9,12-dienoate
Manual XrefsDatabases
LMGP02030017LIPID MAPS