GOLM METABOLOME DATABASE

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Details of Nicotine

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Role	Metabolite
MPIMP ID	M000145
stereoisomer	S-
isotopomer	ambient
formula	C10H14N2
molecular mass	162.232
monoisotopic mass	162.11570
InChI	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
InChIKey	SNICXCGAKADSCV-JTQLQIEISA-N
class	Alkaloid
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%270becef6e-178c-4b92-9b7e-7861efc05f4b%27)

Synonyms of Nicotine

property	value
BRENDA	961
CAS	54-11-5
ChEBI ID	ChEBI:17688
ChEBI ontology	has role anxiolytic drug
ChEBI ontology	has role neurotoxic agent
ChEBI ontology	has role nicotinic agonist
ChEBI ontology	has role phytogenic insecticide
ChEBI ontology	has role teratogenic agent
ChEBI ontology	is a nicotine
ChEBI ontology	is conjugate base of (S)-nicotinium(1+)
30 synonym(s)
Page of 3 Results per page:

Derivatives of Nicotine

analyte	stereoisomer	isotopomer
Nicotine	S-	ambient
1 analyte(s)

Reference substances of Nicotine

reference substance	supplier	supplier code	lot
Nicotine	Sigma	N5511
Nicotine	Fluka	36733	SZBA119XV
Nicotine	Merck	8.20877.0100
Nicotine	Sigma
Nicotine	Sigma	I9891
5 reference substance(s)

Isotopomers and stereoisomers of Nicotine

metabolite	stereoisomer	isotopomer
no hits!

Quantitative Nicotine Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Nicotine Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 10/7/2013 by Fehrle I., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J., Fehrle I.

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