Showing metabocard for Nicotine (MMDBc0053510)

Record Information
Version2.0
StatusDetected and Quantified
Creation Date2022-05-16 21:26:42 UTC
Update Date2023-12-14 16:53:25 UTC
Metabolite IDMMDBc0053510
Metabolite Identification
Common NameNicotine
DescriptionNicotine, also known as (S)-nicotine or habitrol, belongs to the class of organic compounds known as pyrrolidinylpyridines. Pyrrolidinylpyridines are compounds containing a pyrrolidinylpyridine ring system, which consists of a pyrrolidine ring linked to a pyridine ring. Nicotine is a drug which is used for the relief of nicotine withdrawal symptoms and as an aid to smoking cessation. Nicotine is a very strong basic compound (based on its pKa). Within humans, nicotine participates in a number of enzymatic reactions. In particular, nicotine can be converted into nicotine-1'-N-oxide through its interaction with the enzyme dimethylaniline monooxygenase [N-oxide-forming] 3. In addition, nicotine and uridine diphosphate glucuronic acid can be converted into nicotine glucuronide and uridine 5'-diphosphate through its interaction with the enzymes UDP-glucuronosyltransferase 1-4 and UDP-glucuronosyltransferase 1-9. In humans, nicotine is involved in nicotine metabolism pathway. Nicotine is a bitter tasting compound. Outside of the human body, Nicotine has been detected, but not quantified in, several different foods, such as potato, cupuaçus, garlics, yellow bell peppers, and asian pears. This could make nicotine a potential biomarker for the consumption of these foods.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x00007f9aa8ef9fa8>

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3D MOL for #<Metabolite:0x00007f9aa8ef9fa8>

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3D SDF for #<Metabolite:0x00007f9aa8ef9fa8>

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3D-SDF for #<Metabolite:0x00007f9aa8ef9fa8>

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PDB for #<Metabolite:0x00007f9aa8ef9fa8>

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3D PDB for #<Metabolite:0x00007f9aa8ef9fa8>

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SMILES for #<Metabolite:0x00007f9aa8ef9fa8>

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INCHI for #<Metabolite:0x00007f9aa8ef9fa8>

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Synonyms
ValueSource
(-)-NicotineChEBI
(-)-3-(1-Methyl-2-pyrrolidyl)pyridineChEBI
(-)-3-(N-Methylpyrrolidino)pyridineChEBI
(R)-3-(1-Methyl-2-pyrrolidinyl)pyridineChEBI
(S)-(-)-NicotineChEBI
(S)-3-(1-Methylpyrrolidin-2-yl)pyridineChEBI
(S)-3-(N-Methylpyrrolidin-2-yl)pyridineChEBI
1-Methyl-2-(3-pyridyl)pyrrolidineChEBI
3-(1-Methyl-2-pyrollidinyl)pyridineChEBI
3-(1-Methylpyrrolidin-2-yl)pyridineChEBI
3-(2-(N-Methylpyrrolidinyl))pyridineChEBI
3-(N-Methylpyrollidino)pyridineChEBI
L(-)-NicotineChEBI
L-3-(1-Methyl-2-pyrrolidyl)pyridineChEBI
L-NicotineChEBI
(S)-NicotineKegg
HabitrolKegg
(+)-NicotineHMDB
(R,S)-NicotineHMDB
1-Methyl-2-(3-pyridal)-pyrrolideneHMDB
1-Methyl-2-(3-pyridal)-pyrrolidineHMDB
1-Methyl-2-(3-pyridiyl)pyrrolidineHMDB
2'-beta-H-NicotineHMDB
3-(1-Methyl-2-pyrrolidinyl)-pyridineHMDB
3-(1-Methyl-2-pyrrolidinyl)pyridineHMDB
3-(N-Methylpyrrolidino)pyridineHMDB
3-N-MethylpyrrolidineHMDB
a -N-MethylpyrrolidineHMDB
a-N-MethylpyrrolidineHMDB
alpha-N-MethylpyrrolidineHMDB
beta-Pyridyl-alpha-N-methylpyrrolidineHMDB
D-NicotineHMDB
delta-NicotineHMDB
DestruxolHMDB
DL-TetrahydronicotyrineHMDB
Fumeto bacHMDB
Methyl-2-pyrrolidinyl)pyridineHMDB
NicodermHMDB
Nicotine polacrilexHMDB
R)-(+)-NicotineHMDB
Tartrate, nicotineHMDB
Nicotine bitartrateHMDB
Nicotine tartrateHMDB
Bitartrate, nicotineHMDB
NicotineChEBI
Molecular FormulaC10H14N2
Average Mass162.2316
Monoisotopic Mass162.115698458
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
InChI KeySNICXCGAKADSCV-JTQLQIEISA-N