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CHEBI:186445 - PG(16:0/21:0)

ChEBI IDCHEBI:186445
ChEBI NamePG(16:0/21:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H85O10P
Net Charge0
Average Mass793.117
Monoisotopic Mass792.58804
SMILESCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OC[C@@H](O)CO
InChIInChI=1S/C43H85O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-43(47)53-41(39-52-54(48,49)51-37-40(45)36-44)38-50-42(46)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h40-41,44-45H,3-39H2,1-2H3,(H,48,49)/t40-,41+/m0/s1
InChIKeyWDVYZYOVRYCOCF-WVILEFPPSA-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)
PG(16:0/21:0) (CHEBI:186445) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] henicosanoate
Manual XrefsDatabases
113376949ChemSpider
LMGP04010198LIPID MAPS