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CHEBI:187363 - PG(O-20:0/22:2(13Z,16Z))

ChEBI IDCHEBI:187363
ChEBI NamePG(O-20:0/22:2(13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H93O9P
Net Charge0
Average Mass845.237
Monoisotopic Mass844.65572
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C48H93O9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,46-47,49-50H,3-10,12,14-16,18,20-45H2,1-2H3,(H,52,53)/b13-11-,19-17-/t46-,47+/m0/s1
InChIKeyXDQMTXWOZCSUDV-HVVBRKFQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PG(O-20:0/22:2(13Z,16Z)) (CHEBI:187363) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosoxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
113377696ChemSpider
LMGP04020067LIPID MAPS