Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53597
Common Name:	N,N-dihydroxy-L-tyrosine
Systematic Name:	N,N-dihydroxy-L-tyrosine
RefMet Name:	N,N-Dihydroxy-tyrosine
Synonyms:	(2S)-2-(dihydroxyamino)-3-(4-hydroxyphenyl)propanoic acid; (S)-2-(dihydroxyamino)-3-(4-hydroxyphenyl)propionic acid [PubChem Synonyms]
Exact Mass:	213.0637 (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:	C9H11NO5
InChIKey:	QPHSFUGCBGILSS-QMMMGPOBSA-N
ClassyFire superclass:	Organic acids and derivatives [C0000264]
ClassyFire class:	Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:	Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:	Tyrosine and derivatives [C0004319]
SMILES:	c1cc(ccc1C[C@@H](C(=O)O)N(O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	5461147
CHEBI ID:	12532
HMDB ID:	HMDB0304420
KEGG ID:	C15503
Plant Metabolite Hub(Pmhub):	MS000024634

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