Metabolomics Structure Database

MW REGNO: 65498
Common Name:trans-3-hydroxycotinine
Systematic Name:(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
RefMet Name:trans-3-Hydroxycotinine
Synonyms:(3R-trans)-3-hydroxy-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone; 3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone; Hydroxycotinine; trans-3'-Hydroxycotinine [PubChem Synonyms]
Exact Mass:
192.0899 (neutral)    Calculate m/z:
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Pyridines and derivatives [C0000089]
ClassyFire subclass:Pyrrolidinylpyridines [C0001975]
ClassyFire direct parent:Pyrrolidinylpyridines [C0001975]
Massbank MS spectra:View MS spectra
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:107963
CHEBI ID:71182
MetaCyc ID:CPD-2750


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