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

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ChEBI Name 1,2-dihexanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
ChEBI ID CHEBI:73880
ChEBI ASCII Name 1,2-dihexanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)
Definition A phosphatidylglycerol 12:0 in which the acyl groups at C-1 and C-2 are both hexanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C18H35O10P
Net Charge 0
Average Mass 442.43830
Monoisotopic Mass 442.19678
InChI InChI=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
InChIKey CNAHGDCINXNHER-JKSUJKDBSA-N
SMILES CCCCCC(=O)OC[C@H](COP(O)(=O)OC[C@@H](O)CO)OC(=O)CCCCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylglycerol 12:0 )
Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
06:0 PG ChEBI
GPG 6:0/6:0 ChEBI
GPG(6:0/6:0) ChEBI
PG 6:0/6:0 ChEBI
PG(6:0/6:0) ChEBI
phosphatidylglycerol(6:0/6:0) ChEBI
Manual Xref Database
LMGP04010030 LIPID MAPS
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Citation Waiting for Citations Type Source
26777395 PubMed citation Europe PMC
Last Modified
10 March 2016