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CHEBI:186628 - PG(22:1(11Z)/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:186628
ChEBI NamePG(22:1(11Z)/20:3(8Z,11Z,14Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H87O10P
Net Charge0
Average Mass855.188
Monoisotopic Mass854.60369
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C48H87O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-22,26,28,45-46,49-50H,3-11,13,15-17,19,23-25,27,29-44H2,1-2H3,(H,53,54)/b14-12-,20-18-,22-21-,28-26-/t45-,46+/m0/s1
InChIKeyUSJNPOLXUPYEBC-LCHSTSLESA-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(22:1(11Z)/20:3(8Z,11Z,14Z)) (CHEBI:186628) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (Z)-docos-11-enoate
Manual XrefsDatabases
LMGP04010747LIPID MAPS
113377441ChemSpider