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CHEBI:184701 - PKODiA-PG

ChEBI IDCHEBI:184701
ChEBI NamePKODiA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H53O13P
Net Charge0
Average Mass652.715
Monoisotopic Mass652.32238
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C30H53O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-29(36)40-23-27(24-42-44(38,39)41-22-26(33)21-31)43-30(37)18-15-16-25(32)19-20-28(34)35/h19-20,26-27,31,33H,2-18,21-24H2,1H3,(H,34,35)(H,38,39)/b20-19+/t26-,27+/m0/s1
InChIKeyJSEGYAMKCPURPF-LPTRFYTHSA-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)
PKODiA-PG (CHEBI:184701) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
(E)-8-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4,8-dioxooct-2-enoic acid
Manual XrefsDatabases
113380959ChemSpider
LMGP20060008LIPID MAPS