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CHEBI:169786 - PG(O-18:0/22:1(11Z))

ChEBI IDCHEBI:169786
ChEBI NamePG(O-18:0/22:1(11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H91O9P
Net Charge0
Average Mass819.199
Monoisotopic Mass818.64007
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C46H91O9P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-46(49)55-45(43-54-56(50,51)53-41-44(48)40-47)42-52-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h21-22,44-45,47-48H,3-20,23-43H2,1-2H3,(H,50,51)/b22-21-/t44-,45+/m0/s1
InChIKeyDIHFXJCHIQMDCM-RZOPEFEBSA-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)
PG(O-18:0/22:1(11Z)) (CHEBI:169786) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecoxypropan-2-yl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP04020038LIPID MAPS