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CHEBI:230854 - PG(20:3(8Z,11Z,14Z)-O(5,6)/18:2(9Z,11Z))

ChEBI IDCHEBI:230854
ChEBI NamePG(20:3(8Z,11Z,14Z)-O(5,6)/18:2(9Z,11Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H75O11P
Net Charge0
Average Mass811.047
Monoisotopic Mass810.50470
SMILESCCCCC/C=C\C/C=C\C/C=C\CC1OC1CCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCC/C=C\C=C/CCCCCC
InChIInChI=1S/C44H75O11P/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-33-44(48)54-40(38-53-56(49,50)52-36-39(46)35-45)37-51-43(47)34-30-32-42-41(55-42)31-28-26-24-22-20-16-14-12-10-8-6-4-2/h12-15,17-18,20,22,26,28,39-42,45-46H,3-11,16,19,21,23-25,27,29-38H2,1-2H3,(H,49,50)/b14-12-,15-13-,18-17-,22-20-,28-26-/t39-,40+,41?,42?/m0/s1
InChIKeyALNHROJXIWPUDM-ODKHXOJJSA-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(20:3(8Z,11Z,14Z)-O(5,6)/18:2(9Z,11Z)) (CHEBI:230854) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[4-[3-[(2Z,5Z,8Z)-tetradeca-2,5,8-trienyl]oxiran-2-yl]butanoyloxy]propan-2-yl] (9Z,11Z)-octadeca-9,11-dienoate
Manual XrefsDatabases
HMDB0269078HMDB
117224007ChemSpider