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CHEBI:82606 - 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1−)

ChEBI IDCHEBI:82606
ChEBI Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1−)
Stars
ASCII Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1-)
DefinitionA 1-phosphatidyl-1D-myo-inositol(1−) that is the conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-1D-myo-inositol, obtained by deprotonation of the phosphate OH group; major species at pH 7.3.
Last Modified10 March 2017
Submitternhn
DownloadsMolfile
FormulaC17H30O13P
Net Charge-1
Average Mass473.388
Monoisotopic Mass473.14295
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)/p-1/t9-,12-,13-,14+,15-,16-,17-/m1/s1
InChIKeySFURGELIJOUFHC-XXEWDYRMSA-M
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-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol)(1−) (CHEBI:82606) is a 1-phosphatidyl-1D-myo-inositol(1−) (CHEBI:57880)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2R)-2,3-bis(butyryloxy)propyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
Synonym  Source
1,2-dibutanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol)(1−)SUBMITTER
UniProt Name  Source
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol)UniProt
Citations