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CHEBI:186205 - PG(21:0/18:2(9Z,12Z))

ChEBI IDCHEBI:186205
ChEBI NamePG(21:0/18:2(9Z,12Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O10P
Net Charge0
Average Mass817.139
Monoisotopic Mass816.58804
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C45H85O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-36-44(48)52-40-43(41-54-56(50,51)53-39-42(47)38-46)55-45(49)37-35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,42-43,46-47H,3-11,13,15-17,19-21,23-41H2,1-2H3,(H,50,51)/b14-12-,22-18-/t42-,43+/m0/s1
InChIKeyFMIYYYWLLDZBKK-DHSHJIJTSA-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(21:0/18:2(9Z,12Z)) (CHEBI:186205) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] henicosanoate
Manual XrefsDatabases
LMGP04010686LIPID MAPS
113377380ChemSpider