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CHEBI:185797 - PG(20:2(11Z,14Z)/20:0)

ChEBI IDCHEBI:185797
ChEBI NamePG(20:2(11Z,14Z)/20:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H87O10P
Net Charge0
Average Mass831.166
Monoisotopic Mass830.60369
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C46H87O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45(49)53-41-44(42-55-57(51,52)54-40-43(48)39-47)56-46(50)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43-44,47-48H,3-10,12,14-16,18,20-42H2,1-2H3,(H,51,52)/b13-11-,19-17-/t43-,44+/m0/s1
InChIKeyCLRKKXIADVVHLH-SXPGKWTQSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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(20:2(11Z,14Z)/20:0) (CHEBI:185797) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropan-2-yl] icosanoate
Manual XrefsDatabases
LMGP04010577LIPID MAPS
113377280ChemSpider