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CHEBI:83240 - 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)

ChEBI IDCHEBI:83240
ChEBI Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)
Stars
ASCII Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)
DefinitionA 1-phosphatidyl-1D-myo-inositol in which the two phosphatidyl acyl groups are specified as butanoyl.
Last Modified26 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H31O13P
Net Charge0
Average Mass474.396
Monoisotopic Mass474.15023
SMILESCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCC
InChIInChI=1S/C17H31O13P/c1-3-5-10(18)27-7-9(29-11(19)6-4-2)8-28-31(25,26)30-17-15(23)13(21)12(20)14(22)16(17)24/h9,12-17,20-24H,3-8H2,1-2H3,(H,25,26)/t9-,12-,13-,14+,15-,16-,17-/m1/s1
InChIKeySFURGELIJOUFHC-XXEWDYRMSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol) (CHEBI:83240) has functional parent butyric acid (CHEBI:30772)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol) (CHEBI:83240) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol) (CHEBI:83240) is a butyrate ester (CHEBI:50477)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol) (CHEBI:83240) is conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1−) (CHEBI:82606)
Incoming Relation(s)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1−) (CHEBI:82606) is conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol) (CHEBI:83240)
IUPAC Name 
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dibutanoate
Synonyms  Source
1,2-dibutanoyl-sn-glycero-3-phospho-(1'D-myo-inositol)ChEBI
PI(4:0/4:0)ChEBI
di-C4-PIChemIDplus
1,2-Dibutyryl-sn-glycero-3-phosphoinositolChemIDplus
Registry NumbersSources
Reaxys:10618315Reaxys
CAS:148504-92-1ChemIDplus