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CHEBI:176996 - PG(18:0/22:1(11Z))

ChEBI IDCHEBI:176996
ChEBI NamePG(18:0/22:1(11Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC46H89O10P
Net Charge0
Average Mass833.182
Monoisotopic Mass832.61934
SMILESCCCCCCCCCC/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C46H89O10P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-46(50)56-44(42-55-57(51,52)54-40-43(48)39-47)41-53-45(49)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h20-21,43-44,47-48H,3-19,22-42H2,1-2H3,(H,51,52)/b21-20-/t43-,44+/m0/s1
InChIKeyMUJNFKGMSFLZCU-KUMHYYHTSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) Article
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(18:0/22:1(11Z)) (CHEBI:176996) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-octadecanoyloxypropan-2-yl] (Z)-docos-11-enoate
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