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CHEBI:185690 - PKDdiA-PG

ChEBI IDCHEBI:185690
ChEBI NamePKDdiA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H61O13P
Net Charge0
Average Mass708.823
Monoisotopic Mass708.38498
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C34H61O13P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-33(40)44-27-31(28-46-48(42,43)45-26-30(37)25-35)47-34(41)22-19-16-13-14-17-20-29(36)23-24-32(38)39/h23-24,30-31,35,37H,2-22,25-28H2,1H3,(H,38,39)(H,42,43)/b24-23+/t30-,31+/m0/s1
InChIKeyKRELQGFNCRRAOK-HKBYNSHSSA-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)
PKDdiA-PG (CHEBI:185690) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
(E)-12-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-4,12-dioxododec-2-enoic acid
Manual XrefsDatabases
113380955ChemSpider
LMGP20060004LIPID MAPS