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CHEBI:190229 - PG(18:0/20:3)

ChEBI IDCHEBI:190229
ChEBI NamePG(18:0/20:3)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H81O10P
Net Charge0
Average Mass801.096
Monoisotopic Mass800.55674
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C44H81O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,18,21,41-42,45-46H,3-5,7,9-11,13,15-17,19-20,22-40H2,1-2H3,(H,49,50)/b8-6-,14-12-,21-18-/t41-,42+/m0/s1
InChIKeyNTCHXGOCSXKGSD-OQVZLNQVSA-N
Species of MetaboliteComponentSourceComments
Canis lupus (ncbitaxon:9612) liver (BTO:0000759) MetaboLights (MTBLS4015)
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(18:0/20:3) (CHEBI:190229) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
LMGP04010413LIPID MAPS
113377124ChemSpider