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CHEBI:184719 - PKHdiA-PG

ChEBI IDCHEBI:184719
ChEBI NamePKHdiA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H51O13P
Net Charge0
Average Mass638.688
Monoisotopic Mass638.30673
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC(=O)/C=C/C(=O)O
InChIInChI=1S/C29H51O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-28(35)39-22-26(23-41-43(37,38)40-21-25(32)20-30)42-29(36)19-17-24(31)16-18-27(33)34/h16,18,25-26,30,32H,2-15,17,19-23H2,1H3,(H,33,34)(H,37,38)/b18-16+/t25-,26+/m0/s1
InChIKeyHFRLZWODHFDKDW-LNOZMOLCSA-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)
PKHdiA-PG (CHEBI:184719) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
(E)-7-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual XrefsDatabases
113380963ChemSpider
LMGP20060012LIPID MAPS