Metabolomics Structure Database

 
MW REGNO: 51305
Common Name:Streptidine
Systematic Name:1,1'-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine;N,N'''-[(1R,2s,3S,4R,5r,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl]diguanidine
RefMet Name:Streptidine
Synonyms:1,1'-(2,4,5,6-Tetrahydroxy-1,3-cyclohexylene)diguanidine; 1,3-diguanidino-2,4,5,6-cyclohexanetetrol; N,N'-bis(aminoiminomethyl)streptamine; N,N'-diamidinostreptamine; Streptamine, N,N'-bis(aminoiminomethyl)- [PubChem Synonyms]
Exact Mass:
262.1390 (neutral)    Calculate m/z:
Formula:C8H18N6O4
InChIKey:MSXMXWJPFIDEMT-FAEUDGQSSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Alcohols and polyols [C0000129]
ClassyFire direct parent:Cyclohexanols [C0002647]
SMILES:[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)NC(=N)N)O)NC(=N)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:439323
CHEBI ID:27405
HMDB ID:HMDB0258506
KEGG ID:C00837
Plant Metabolite Hub(Pmhub):MS000016985

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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