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CHEBI:186267 - PGP(16:0/18:1(9Z))

ChEBI IDCHEBI:186267
ChEBI NamePGP(16:0/18:1(9Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H78O13P2
Net Charge0
Average Mass828.999
Monoisotopic Mass828.49177
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C40H78O13P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(43)53-38(36-52-55(47,48)51-34-37(41)33-50-54(44,45)46)35-49-39(42)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37-38,41H,3-16,19-36H2,1-2H3,(H,47,48)(H2,44,45,46)/b18-17-/t37-,38+/m0/s1
InChIKeyBKRKPWQBIFVASS-HGWHEPCSSA-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)
PGP(16:0/18:1(9Z)) (CHEBI:186267) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate
Manual XrefsDatabases
LMGP05010001LIPID MAPS
HMDB0013476HMDB
4446635ChemSpider