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CHEBI:230059 - PG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/i-12:0)

ChEBI IDCHEBI:230059
ChEBI NamePG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/i-12:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H67O12P
Net Charge0
Average Mass746.916
Monoisotopic Mass746.43701
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)CCCCCCCCC(C)C
InChIInChI=1S/C38H67O12P/c1-4-5-6-7-11-16-22-33(40)23-17-13-14-18-24-34(41)25-20-27-37(43)47-30-36(31-49-51(45,46)48-29-35(42)28-39)50-38(44)26-19-12-9-8-10-15-21-32(2)3/h11,13-14,16-18,23-24,32-36,39-42H,4-10,12,15,19-22,25-31H2,1-3H3,(H,45,46)/b14-13+,16-11-,23-17+,24-18-/t33-,34-,35+,36-/m1/s1
InChIKeyGQYFAMNBUOSRCC-HGBXTMIGSA-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)/i-12:0) (CHEBI:230059) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(10-methylundecanoyloxy)propyl] (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
Manual XrefsDatabases
117225584ChemSpider
HMDB0271086HMDB