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CHEBI:179765 - PG(20:4(5Z,8Z,11Z,14Z)/17:2(9Z,12Z))

ChEBI IDCHEBI:179765
ChEBI NamePG(20:4(5Z,8Z,11Z,14Z)/17:2(9Z,12Z))
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H73O10P
Net Charge0
Average Mass781.021
Monoisotopic Mass780.49414
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C43H73O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-24-26-28-30-32-34-42(46)50-38-41(39-52-54(48,49)51-37-40(45)36-44)53-43(47)35-33-31-29-27-25-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,21,23,26,28,40-41,44-45H,3-9,14-15,20,22,24-25,27,29-39H2,1-2H3,(H,48,49)/b12-10-,13-11-,18-16-,19-17-,23-21-,28-26-/t40-,41+/m0/s1
InChIKeyLSMZHQKGKWMNRR-TWSQBWPKSA-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(20:4(5Z,8Z,11Z,14Z)/17:2(9Z,12Z)) (CHEBI:179765) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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