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CHEBI:179763 - PG(17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))

ChEBI IDCHEBI:179763
ChEBI NamePG(17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H73O10P
Net Charge0
Average Mass781.021
Monoisotopic Mass780.49414
SMILESCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C43H73O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-43(47)53-41(39-52-54(48,49)51-37-40(45)36-44)38-50-42(46)34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h10-13,16-19,21,23,27,29,40-41,44-45H,3-9,14-15,20,22,24-26,28,30-39H2,1-2H3,(H,48,49)/b12-10-,13-11-,18-16-,19-17-,23-21-,29-27-/t40-,41+/m0/s1
InChIKeyVKGJBKWFGHBXMN-ITYCCWCBSA-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(17:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:179763) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
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