Metabolomics Structure Database

 
MW REGNO: 50458
Common Name:Myo-inositol 1,3,4,5,6-pentakisphosphate
Systematic Name:myo-inositol 1,3,4,5,6-pentakis(dihydrogen phosphate)
Synonyms: [PubChem Synonyms]
Exact Mass:
579.8950 (neutral)    Calculate m/z:
Formula:C6H17O21P5
InChIKey:CTPQAXVNYGZUAJ-KXXVROSKSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Alcohols and polyols [C0000129]
ClassyFire direct parent:Inositol phosphates [C0002511]
SMILES:[C@@H]1([C@H]([C@@H]([C@H]([C@@H]([C@H]1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
Studies:-

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External database links:

PubChem CID:439468
CHEBI ID:16322
HMDB ID:HMDB0003529
KEGG ID:C01284
MetaCyc ID:CPD-1107
Plant Metabolite Hub(Pmhub):MS000017193

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y

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