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CHEBI:231113 - PG(20:4(6E,8Z,11Z,14Z)+=O(5)/i-19:0)

ChEBI IDCHEBI:231113
ChEBI NamePG(20:4(6E,8Z,11Z,14Z)+=O(5)/i-19:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H79O11P
Net Charge0
Average Mass827.090
Monoisotopic Mass826.53600
SMILESCCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C45H79O11P/c1-4-5-6-7-8-9-10-12-16-19-22-25-28-32-41(47)33-30-35-44(49)53-38-43(39-55-57(51,52)54-37-42(48)36-46)56-45(50)34-29-26-23-20-17-14-11-13-15-18-21-24-27-31-40(2)3/h8-9,12,16,22,25,28,32,40,42-43,46,48H,4-7,10-11,13-15,17-21,23-24,26-27,29-31,33-39H2,1-3H3,(H,51,52)/b9-8-,16-12-,25-22-,32-28+/t42-,43+/m0/s1
InChIKeyBMMDPPPZQPEVSM-FTJNQVMJSA-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(6E,8Z,11Z,14Z)+=O(5)/i-19:0) (CHEBI:231113) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(17-methyloctadecanoyloxy)propyl] (6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoate
Manual XrefsDatabases
117226193ChemSpider
HMDB0271823HMDB