EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79067 - 1-hexanoyl-sn-glycero-3-phosphate

ChEBI IDCHEBI:79067
ChEBI Name1-hexanoyl-sn-glycero-3-phosphate
Stars
ASCII Name1-hexanoyl-sn-glycero-3-phosphate
DefinitionA 1-O-acyl-sn-glycero-3-phosphate in which the acyl group is specified as caproyl (hexanoyl).
Last Modified4 September 2015
SubmitterSteve
DownloadsMolfile
FormulaC9H19O7P
Net Charge0
Average Mass270.218
Monoisotopic Mass270.08684
SMILESCCCCCC(=O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C9H19O7P/c1-2-3-4-5-9(11)15-6-8(10)7-16-17(12,13)14/h8,10H,2-7H2,1H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyFIMVTNBZKNVWDN-MRVPVSSYSA-N
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).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-hexanoyl-sn-glycero-3-phosphate (CHEBI:79067) is a 1-acyl-sn-glycerol 3-phosphate (CHEBI:16975)
1-hexanoyl-sn-glycero-3-phosphate (CHEBI:79067) is a hexanoate ester (CHEBI:87656)
1-hexanoyl-sn-glycero-3-phosphate (CHEBI:79067) is conjugate acid of 1-caproyl-sn-glycero-3-phosphate(2−) (CHEBI:78223)
Incoming Relation(s)
1-caproyl-sn-glycero-3-phosphate(2−) (CHEBI:78223) is conjugate base of 1-hexanoyl-sn-glycero-3-phosphate (CHEBI:79067)
IUPAC Name 
(2R)-2-hydroxy-3-(phosphonooxy)propyl hexanoate
Synonym  Source
1-caproyl-sn-glycero-3-phosphateChEBI
Registry NumbersSources
Reaxys:19466849Reaxys