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CHEBI:185450 - PA-PG

ChEBI IDCHEBI:185450
ChEBI NamePA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H59O12P
Net Charge0
Average Mass654.775
Monoisotopic Mass654.37441
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCC(=O)O
InChIInChI=1S/C31H59O12P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-30(36)40-25-28(26-42-44(38,39)41-24-27(33)23-32)43-31(37)22-19-16-13-14-17-20-29(34)35/h27-28,32-33H,2-26H2,1H3,(H,34,35)(H,38,39)/t27-,28+/m0/s1
InChIKeyGSUXAZSASWSNSU-WUFINQPMSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA-PG (CHEBI:185450) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
9-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-9-oxononanoic acid
Manual XrefsDatabases
113380965ChemSpider
LMGP20060014LIPID MAPS