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CHEBI:178653 - PG(12:0/22:2(13Z,16Z))

ChEBI IDCHEBI:178653
ChEBI NamePG(12:0/22:2(13Z,16Z))
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SubmitterMetaboLights
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FormulaC40H75O10P
Net Charge0
Average Mass747.004
Monoisotopic Mass746.50979
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C40H75O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-12-10-8-6-4-2/h11,13,15-16,37-38,41-42H,3-10,12,14,17-36H2,1-2H3,(H,45,46)/b13-11-,16-15-/t37-,38+/m0/s1
InChIKeyVBYJZYPORIQRSX-LNRJLOBGSA-N
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(12:0/22:2(13Z,16Z)) (CHEBI:178653) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
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