Metabolomics Structure Database

 
MW REGNO: 62504
Common Name:1-diphospho-1D-myo-inositol 3,4,5,6-tetrakisphosphate
Systematic Name:3,4,5,6-tetrakis-O-phosphono-1D-myo-inositol 1-(trihydrogen diphosphate)
Synonyms:(1R,2R,3S,4R,5S,6S)-2-hydroxy-3,4,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate; 1-PP-IP4 [PubChem Synonyms]
Exact Mass:
659.8614 (neutral)    Calculate m/z:
Formula:C6H18O24P6
InChIKey:RLQGQDJUKRAXDX-YORTWTKJSA-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)OP(=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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Human Pathway links:

REACTOME pathways containing this metabolite

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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