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CHEBI:185824 - PG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:185824
ChEBI NamePG(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H77O10P
Net Charge0
Average Mass809.075
Monoisotopic Mass808.52544
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C45H77O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19-20,22-23,25,29,31,42-43,46-47H,3-4,6,8-10,12,14-16,18,21,24,26-28,30,32-41H2,1-2H3,(H,50,51)/b7-5-,13-11-,19-17-,22-20-,25-23-,31-29-/t42-,43+/m0/s1
InChIKeyUWKTWMRFFRQJLA-CSROWDCNSA-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(19:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:185824) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
113377209ChemSpider
LMGP04010504LIPID MAPS