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CHEBI:176994 - PG(20:0/21:0)

ChEBI IDCHEBI:176994
ChEBI NamePG(20:0/21:0)
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SubmitterMetaboLights
DownloadsMolfile
FormulaC47H93O10P
Net Charge0
Average Mass849.225
Monoisotopic Mass848.65064
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C47H93O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-47(51)57-45(43-56-58(52,53)55-41-44(49)40-48)42-54-46(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44-45,48-49H,3-43H2,1-2H3,(H,52,53)/t44-,45+/m0/s1
InChIKeyXVNLTOYURBTNMA-YWPUXERESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
ChEBI Ontology
Outgoing Relation(s)
PG(20:0/21:0) (CHEBI:176994) is a phosphocholines (CHEBI:36700)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosanoyloxypropan-2-yl] henicosanoate
Manual XrefsDatabases
LMGP04010524LIPID MAPS