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CHEBI:83239 - 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)

ChEBI IDCHEBI:83239
ChEBI Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)
Stars
ASCII Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)
DefinitionA 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as butanoyl.
Last Modified26 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H32O16P2
Net Charge0
Average Mass554.375
Monoisotopic Mass554.11656
SMILESCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC
InChIInChI=1S/C17H32O16P2/c1-3-5-10(18)29-7-9(31-11(19)6-4-2)8-30-35(27,28)33-17-14(22)12(20)13(21)16(15(17)23)32-34(24,25)26/h9,12-17,20-23H,3-8H2,1-2H3,(H,27,28)(H2,24,25,26)/t9-,12-,13-,14-,15-,16+,17-/m1/s1
InChIKeyNKJZZWLREOAJGO-FBVWBLDGSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate) (CHEBI:83239) has functional parent butyric acid (CHEBI:30772)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate) (CHEBI:83239) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate (CHEBI:16500)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate) (CHEBI:83239) is a butyrate ester (CHEBI:50477)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate) (CHEBI:83239) is conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3−) (CHEBI:82605)
Incoming Relation(s)
1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3−) (CHEBI:82605) is conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate) (CHEBI:83239)
IUPAC Name 
(2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dibutanoate
Synonyms  Source
1,2-dibutanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)ChEBI
PIP[5'](4:0/4:0)ChEBI
Registry NumbersSources
Reaxys:25649102Reaxys