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CHEBI:230155 - PG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/a-25:0)

ChEBI IDCHEBI:230155
ChEBI NamePG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/a-25:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H93O12P
Net Charge0
Average Mass929.267
Monoisotopic Mass928.64047
SMILESCCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C51H93O12P/c1-4-6-7-8-24-29-35-46(53)36-30-26-27-31-37-47(54)38-33-40-50(56)60-43-49(44-62-64(58,59)61-42-48(55)41-52)63-51(57)39-32-25-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-28-34-45(3)5-2/h24,26-27,29-31,36-37,45-49,52-55H,4-23,25,28,32-35,38-44H2,1-3H3,(H,58,59)/b27-26+,29-24-,36-30+,37-31-/t45?,46-,47-,48+,49-/m1/s1
InChIKeyBIFHMDCPZRYYQJ-NXEMCLNESA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
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(6Z,8E,10E,14Z)-2OH(5S,12R)/a-25:0) (CHEBI:230155) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[(5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoyl]oxy-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxypropan-2-yl] 22-methyltetracosanoate
Manual XrefsDatabases
117225506ChemSpider
HMDB0270982HMDB