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CHEBI:82605 - 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3−)

ChEBI IDCHEBI:82605
ChEBI Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3−)
Stars
ASCII Name1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) arising from deprotonation of the phosphate OH groups of 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate); major species at pH 7.3.
Last Modified10 March 2017
Submitternhn
DownloadsMolfile
FormulaC17H29O16P2
Net Charge-3
Average Mass551.351
Monoisotopic Mass551.09473
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)/p-3/t9-,12-,13-,14-,15-,16+,17-/m1/s1
InChIKeyNKJZZWLREOAJGO-FBVWBLDGSA-K
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-5'-phosphate)(3−) (CHEBI:82605) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) (CHEBI:57795)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2R)-2,3-bis(butyryloxy)propyl (1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
Synonyms  Source
1,2-dibutanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3−)SUBMITTER
PIP[5'](4:0/4:0)SUBMITTER
UniProt Name  Source
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)UniProt
Citations