Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	41920
Common Name:	Dihydrozeatin
Systematic Name:	(2S)-2-methyl-4-[(7H-purin-6-yl)amino]butan-1-ol
RefMet Name:	Dihydrozeatin
Synonyms:	[PubChem Synonyms]
Exact Mass:	221.1277 (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:	C10H15N5O
InChIKey:	XXFACTAYGKKOQB-ZETCQYMHSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Imidazopyrimidines [C0001797]
ClassyFire subclass:	Purines and purine derivatives [C0000245]
ClassyFire direct parent:	6-alkylaminopurines [C0003454]
MoNA MS spectra:	View MS spectra
SMILES:	C[C@@H](CCNc1c2c(nc[nH]2)ncn1)CO
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	439631
CHEBI ID:	17874
HMDB ID:	HMDB0012215
KEGG ID:	C02029
Chemspider ID:	388705
MetaCyc ID:	CPD-332
EPA CompTox DB:	DTXCID60893192
Plant Metabolite Hub(Pmhub):	MS000008122

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