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CHEBI:79075 - 1,2-dioctanoyl-sn-glycero-3-phosphate

Default Structure
ChEBI IDCHEBI:79075
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phosphate
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phosphate
DefinitionA 1,2-diacyl-sn-glycero-3-phosphate in which the acyl groups at positions 1 and 2 are specified as octanoyl.
Secondary ChEBI IDCHEBI:44889
Last Modified10 March 2016
SubmitterSteve
DownloadsMolfile
FormulaC19H37O8P
Net Charge0
Average Mass424.471
Monoisotopic Mass424.22260
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC
InChIInChI=1S/C19H37O8P/c1-3-5-7-9-11-13-18(20)25-15-17(16-26-28(22,23)24)27-19(21)14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H2,22,23,24)/t17-/m1/s1
InChIKeyXYSBQYUENLDGMI-QGZVFWFLSA-N
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075)
IUPAC Name 
(2R)-3-(phosphonooxy)propane-1,2-diyl dioctanoate
Synonyms  Source
1,2-dicapryloyl-sn-glycero-3-phosphateChEBI
1,2-Dioctanoyl-sn-glycero-3-phosphatidic acidLIPID MAPS
(2R)-2,3-bis(octanoyloxy)propyl hydrogen phosphatePDBeChem
Dioctanoylphosphatidic acidChemIDplus
PA(16:0)ChEBI
PA(8:0/8:0)LIPID MAPS
Manual XrefsDatabases
LMGP10010021LIPID MAPS
PA8PDBeChem
Registry NumbersSources
Reaxys:8518440Reaxys
CAS:102731-57-7ChemIDplus
Citations