Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	50553
Common Name:	N-hydroxy-4-aminobiphenyl
Systematic Name:	N-hydroxy-[1,1'-biphenyl]-4-amine
RefMet Name:	N-Hydroxy-4-aminobiphenyl
Synonyms:	4-biphenylhydroxylamine; 4-hydroxyaminobiphenyl; 4-hydroxylaminobiphenyl; N-1,1'-biphenyl-4-ylhydroxylamine; N-4-biphenylylhydroxylamine [PubChem Synonyms]
Exact Mass:	185.0841 (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:	C12H11NO
InChIKey:	MYVLYOJYVMLSFA-UHFFFAOYSA-N
ClassyFire superclass:	Benzenoids [C0002448]
ClassyFire class:	Benzene and substituted derivatives [C0002279]
ClassyFire subclass:	Biphenyls and derivatives [C0000041]
ClassyFire direct parent:	Biphenyls and derivatives [C0000041]
SMILES:	c1ccc(cc1)c1ccc(cc1)NO
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	81261
CHEBI ID:	16580
HMDB ID:	HMDB0062723
KEGG ID:	C03622
MetaCyc ID:	N-HYDROXY-4-AMINOBIPHENYL
Plant Metabolite Hub(Pmhub):	MS000018008

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