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CHEBI:187814 - PKODiA-PA

ChEBI IDCHEBI:187814
ChEBI NamePKODiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H47O11P
Net Charge0
Average Mass578.636
Monoisotopic Mass578.28560
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C27H47O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(31)36-21-24(22-37-39(33,34)35)38-27(32)18-15-16-23(28)19-20-25(29)30/h19-20,24H,2-18,21-22H2,1H3,(H,29,30)(H2,33,34,35)/b20-19+/t24-/m1/s1
InChIKeyFRSACBBYZYDGRH-UPCAWOEVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PKODiA-PA (CHEBI:187814) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-8-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4,8-dioxooct-2-enoic acid
Manual XrefsDatabases
113380995ChemSpider
LMGP20070008LIPID MAPS