Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	67643
Common Name:	Daminozide
Systematic Name:	4-(2,2-dimethylhydrazino)-4-oxo-butanoic acid
RefMet Name:	Daminozide
Synonyms:	Aminozide; Kylar; N-(Dimethylamino)succinamic acid; ALAR; DMASA [PubChem Synonyms]
Exact Mass:	160.0848 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C6H12N2O3
InChIKey:	NOQGZXFMHARMLW-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls
LIPID MAPS mainclass:	Fatty amides
LIPID MAPS subclass:	Primary amides
Massbank MS spectra:	View MS spectra
SMILES:	CN(C)NC(=O)CCC(=O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	15331
CHEBI ID:	4312
HMDB ID:	HMDB0250838
KEGG ID:	C10996
EPA CompTox DB:	DTXCID70370
Plant Metabolite Hub(Pmhub):	MS000002385

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