trans-3-hydroxycotinine (CHEBI:71182)

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ChEBI Name	trans-3-hydroxycotinine

ChEBI ID	CHEBI:71182

ChEBI ASCII Name	trans-3-hydroxycotinine

Definition	An N-alkylpyrrolidine that is cotinine substituted at position C-3 by a hydroxy group (the 3R,5S-diastereomer).

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C10H12N2O2

Net Charge

Average Mass

192.21450

Monoisotopic Mass

192.08988

InChI

InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1

InChIKey

XOKCJXZZNAUIQN-DTWKUNHWSA-N

SMILES

[H][C@]1(C[C@@H](O)C(=O)N1C)c1cccnc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. (via alkaloid )

ChEBI Ontology
Outgoing	trans-3-hydroxycotinine (CHEBI:71182) has functional parent (−)-cotinine (CHEBI:68641) trans-3-hydroxycotinine (CHEBI:71182) is a N-alkylpyrrolidine (CHEBI:46775) trans-3-hydroxycotinine (CHEBI:71182) is a pyridines (CHEBI:26421) trans-3-hydroxycotinine (CHEBI:71182) is a pyrrolidin-2-ones (CHEBI:74223) trans-3-hydroxycotinine (CHEBI:71182) is a pyrrolidine alkaloid (CHEBI:26456)

Incoming	trans-3-hydroxycotinine β-D-glucuronide (CHEBI:133206) has functional parent trans-3-hydroxycotinine (CHEBI:71182)

IUPAC Name

(3R,5S)-3-hydroxy-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one

Synonyms	Sources
(3R-trans)-3-hydroxy-1-methyl-5-(3-pyridinyl)-2-Pyrrolidinone	HMDB
3-Hydroxy-1-methyl-5-(3-pyridinyl)-2-pyrrolidinone	HMDB
Hydroxycotinine	HMDB
trans-3'-Hydroxycotinine	HMDB

Last Modified

09 September 2016