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CHEBI:73880 - 1,2-dihexanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

Default Structure
ChEBI IDCHEBI:73880
ChEBI Name1,2-dihexanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
Stars
ASCII Name1,2-dihexanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
DefinitionA phosphatidylglycerol 12:0 in which the acyl groups at C-1 and C-2 are both hexanoyl.
Last Modified10 March 2016
Submittermwilliams
DownloadsMolfile
FormulaC18H35O10P
Net Charge0
Average Mass442.442
Monoisotopic Mass442.19678
SMILESCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCCC
InChIInChI=1S/C18H35O10P/c1-3-5-7-9-17(21)25-13-16(28-18(22)10-8-6-4-2)14-27-29(23,24)26-12-15(20)11-19/h15-16,19-20H,3-14H2,1-2H3,(H,23,24)/t15-,16+/m0/s1
InChIKeyCNAHGDCINXNHER-JKSUJKDBSA-N
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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).
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)
1,2-dihexanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73880) is a hexanoate ester (CHEBI:87656)
1,2-dihexanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (CHEBI:73880) is a phosphatidylglycerol 12:0 (CHEBI:73879)
IUPAC Name 
(2R)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)-2-(hexanoyloxy)propyl hexanoate
Synonyms  Source
06:0 PGChEBI
GPG 6:0/6:0ChEBI
GPG(6:0/6:0)ChEBI
PG 6:0/6:0ChEBI
PG(6:0/6:0)ChEBI
phosphatidylglycerol(6:0/6:0)ChEBI
Manual XrefsDatabases
LMGP04010030LIPID MAPS
Citations