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CHEBI:185169 - PKHdiA-PA

ChEBI IDCHEBI:185169
ChEBI NamePKHdiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H45O11P
Net Charge0
Average Mass564.609
Monoisotopic Mass564.26995
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCC(=O)/C=C/C(=O)O
InChIInChI=1S/C26H45O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(30)35-20-23(21-36-38(32,33)34)37-26(31)19-17-22(27)16-18-24(28)29/h16,18,23H,2-15,17,19-21H2,1H3,(H,28,29)(H2,32,33,34)/b18-16+/t23-/m1/s1
InChIKeyUPUOTNABCHAZDY-YJCCFKNTSA-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)
PKHdiA-PA (CHEBI:185169) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-7-[(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual XrefsDatabases
113380999ChemSpider
LMGP20070012LIPID MAPS