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CHEBI:187230 - PG(22:1(11Z)/17:1(9Z))

ChEBI IDCHEBI:187230
ChEBI NamePG(22:1(11Z)/17:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O10P
Net Charge0
Average Mass817.139
Monoisotopic Mass816.58804
SMILESCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C45H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-44(48)52-40-43(41-54-56(50,51)53-39-42(47)38-46)55-45(49)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h16,18,20-21,42-43,46-47H,3-15,17,19,22-41H2,1-2H3,(H,50,51)/b18-16-,21-20-/t42-,43+/m0/s1
InChIKeyWTDNXOCITLGYEZ-QBTODZROSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
PG(22:1(11Z)/17:1(9Z)) (CHEBI:187230) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(Z)-heptadec-9-enoyl]oxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
113377428ChemSpider
LMGP04010734LIPID MAPS