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CHEBI:140300 - 1-decanoyl-2-stearoyl-sn-phosphatidic acid

Default Structure
ChEBI IDCHEBI:140300
ChEBI Name1-decanoyl-2-stearoyl-sn-phosphatidic acid
Stars
ASCII Name1-decanoyl-2-stearoyl-sn-phosphatidic acid
DefinitionA 1,2-diacyl-sn-glycerol 3-phosphate (sn-phosphatidic acid) in which the acyl groups at positions 1 and 2 are specified as decanoyl and stearoyl respectively.
Last Modified12 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC31H61O8P
Net Charge0
Average Mass592.795
Monoisotopic Mass592.41041
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C31H61O8P/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-24-26-31(33)39-29(28-38-40(34,35)36)27-37-30(32)25-23-21-19-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/t29-/m1/s1
InChIKeyNEHFRILYYHJEFJ-GDLZYMKVSA-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-decanoyl-2-stearoyl-sn-phosphatidic acid (CHEBI:140300) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
1-decanoyl-2-stearoyl-sn-phosphatidic acid (CHEBI:140300) is a decanoate ester (CHEBI:87658)
1-decanoyl-2-stearoyl-sn-phosphatidic acid (CHEBI:140300) is a octadecanoate ester (CHEBI:75925)
1-decanoyl-2-stearoyl-sn-phosphatidic acid (CHEBI:140300) is a phosphatidic acid (CHEBI:16337)
IUPAC Name 
(2R)-1-(decanoyloxy)-3-(phosphonooxy)propan-2-yl octadecanoate
Synonyms  Source
1-decanoyl-2-octadecanoyl-sn-glycero-3-phosphateChEBI
1-decanoyl-2-stearoyl-sn-glycero-3-phosphateChEBI
PA(10:0/18:0)ChEBI
Manual XrefsDatabases
F57PDBeChem
Citations