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CHEBI:78229 - 1,2-dioctanoyl-sn-glycero-3-phosphate(2−)

Default Structure
ChEBI IDCHEBI:78229
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phosphate(2−)
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phosphate(2-)
DefinitionA 1,2-diacyl-sn-glycerol 3-phosphate(2−) obtained by deprotonation of the phosphate OH groups of 1,2-dioctanoyl-sn-glycero-3-phosphate; major species at pH 7.3.
Last Modified4 July 2014
Submitterlaimo
DownloadsMolfile
FormulaC19H35O8P
Net Charge-2
Average Mass422.455
Monoisotopic Mass422.20805
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)/p-2/t17-/m1/s1
InChIKeyXYSBQYUENLDGMI-QGZVFWFLSA-L
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) has functional parent octanoate (CHEBI:25646)
1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) is a 1,2-diacyl-sn-glycerol 3-phosphate(2−) (CHEBI:58608)
1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phosphate (CHEBI:79075) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phosphate(2−) (CHEBI:78229)
IUPAC Name 
(2R)-2,3-bis(octanoyloxy)propyl phosphate
Synonyms  Source
1,2-dicapryloyl-sn-glycero-3-phosphate(2−)ChEBI
PA 8:0/8:0(2−)SUBMITTER
UniProt Name  Source
1,2-dioctanoyl-sn-glycero-3-phosphateUniProt