Metabolomics Structure Database

 
MW REGNO: 50394
Common Name:1-guanidino-1-deoxy-scyllo-inositol 4-phosphate
Systematic Name:(2R,3S,5R,6S)-4-carbamimidamido-2,3,5,6-tetrahydroxycyclohexyl dihydrogen phosphate
RefMet Name:1-Guanidino-1-deoxy-scyllo-inositol 4-phosphate
Synonyms: [PubChem Synonyms]
Exact Mass:
301.0675 (neutral)    Calculate m/z:
Formula:C7H16N3O8P
InChIKey:LQSANMIGNWXLNF-CDRYSYESSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Alcohols and polyols [C0000129]
ClassyFire direct parent:Cyclohexanols [C0002647]
SMILES:NC(=N)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](O)[C@H]1O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:439474
CHEBI ID:16143

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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