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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)(3−) ChEBI ID CHEBI:82605 ChEBI ASCII Name 1,2-dibutyryl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3-) Definition A 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) arising from deprotonation of the phosphate OH groups of 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate); major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Nevila Nouspikel Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C17H29O16P2 Net Charge -3 Average Mass 551.35170 Monoisotopic Mass 551.09473 InChI InChI=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 InChIKey NKJZZWLREOAJGO-FBVWBLDGSA-K SMILES CCCC(=O)OC[C@H](COP([O-])(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](OP([O-])([O-])=O)[C@H]1O)OC(=O)CCC Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)(3−) (CHEBI:82605) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate(3−) (CHEBI:57795) 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)(3−) (CHEBI:82605) is conjugate base of 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) (CHEBI:83239) Incoming 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate) (CHEBI:83239) is conjugate acid of 1,2-dibutyryl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-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 Sources 1,2-dibutanoyl-sn-glycero-3-phospho-(1ʼD-myo-inositol-5ʼ-phosphate)(3−) SUBMITTER 1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate) UniProt PIP[5ʼ](4:0/4:0) SUBMITTER Citation Type Source 15247229 PubMed citation SUBMITTER Last Modified 10 March 2017