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CHEBI:184284 - PKOHA-PG

ChEBI IDCHEBI:184284
ChEBI NamePKOHA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H51O12P
Net Charge0
Average Mass622.689
Monoisotopic Mass622.31181
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC(=O)/C=C/C=O
InChIInChI=1S/C29H51O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28(34)38-23-27(24-40-42(36,37)39-22-26(33)21-31)41-29(35)19-18-25(32)16-15-20-30/h15-16,20,26-27,31,33H,2-14,17-19,21-24H2,1H3,(H,36,37)/b16-15+/t26-,27+/m0/s1
InChIKeyJOPYDPZCXIRCRB-LSZUOZHKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
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)
PKOHA-PG (CHEBI:184284) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(E)-4,7-dioxohept-5-enoyl]oxypropyl] hexadecanoate
Manual XrefsDatabases
113380961ChemSpider
LMGP20060010LIPID MAPS