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CHEBI:184684 - OKHdiA-PG

ChEBI IDCHEBI:184684
ChEBI NameOKHdiA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H53O13P
Net Charge0
Average Mass664.726
Monoisotopic Mass664.32238
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCC(=O)/C=C/C(=O)O
InChIInChI=1S/C31H53O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(37)41-24-28(25-43-45(39,40)42-23-27(34)22-32)44-31(38)21-19-26(33)18-20-29(35)36/h9-10,18,20,27-28,32,34H,2-8,11-17,19,21-25H2,1H3,(H,35,36)(H,39,40)/b10-9-,20-18+/t27-,28+/m0/s1
InChIKeyHPNVNBKGCLPHHJ-OWOATLMESA-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)
OKHdiA-PG (CHEBI:184684) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
(E)-7-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid
Manual XrefsDatabases
113380977ChemSpider
LMGP20060026LIPID MAPS