Metabolomics Structure Database

 
MW REGNO: 37784
Common Name:Putrescine
Systematic Name:butane-1,4-diamine
RefMet Name:Putrescine
Synonyms: [PubChem Synonyms]
Exact Mass:
88.1000 (neutral)    Calculate m/z:
Formula:C4H12N2
InChIKey:KIDHWZJUCRJVML-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Amines [C0002449]
ClassyFire direct parent:Monoalkylamines [C0000469]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:NCCCCN
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:1045
CHEBI ID:17148
HMDB ID:HMDB0001414
KEGG ID:C00134
Chemspider ID:13837702
METLIN ID:3226
BMRB ID:bmse000862
MetaCyc ID:PUTRESCINE
NP-MRD ID(NMR):NP0000792
EPA CompTox DB:DTXCID2021107
Plant Metabolite Hub(Pmhub):MS000006695

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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