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CHEBI:186220 - PGP(a-13:0/i-24:0)

ChEBI IDCHEBI:186220
ChEBI NamePGP(a-13:0/i-24:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H86O13P2
Net Charge0
Average Mass873.096
Monoisotopic Mass872.55437
SMILESCCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C43H86O13P2/c1-5-39(4)31-27-23-20-21-24-28-32-42(45)52-36-41(37-55-58(50,51)54-35-40(44)34-53-57(47,48)49)56-43(46)33-29-25-19-17-15-13-11-9-7-6-8-10-12-14-16-18-22-26-30-38(2)3/h38-41,44H,5-37H2,1-4H3,(H,50,51)(H2,47,48,49)/t39?,40-,41+/m0/s1
InChIKeyDMYHJZLEBCGJRF-XRCKYFATSA-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(a-13:0/i-24:0) (CHEBI:186220) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 22-methyltricosanoate
Manual XrefsDatabases
HMDB0116529HMDB
74878241ChemSpider