CHEBI:140115 - nicotine bitartrate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name nicotine bitartrate
ChEBI ID CHEBI:140115
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H30N2O14
Net Charge 0
Average Mass 498.437
Monoisotopic Mass 498.16970
InChI InChI=1S/C10H14N2.2C4H6O6.2H2O/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*5-1(3(7)8)2(6)4(9)10;;/h2,4,6,8,10H,3,5,7H2,1H3;2*1-2,5-6H,(H,7,8)(H,9,10);2*1H2/t10-;2*1-,2-;;/m011../s1
InChIKey LDMPZNTVIGIREC-ZGPNLCEMSA-N
SMILES C1=CN=CC(=C1)[C@@H]2CCCN2C.OC([C@@H]([C@H](C(O)=O)O)O)=O.O.O.OC([C@@H]([C@H](C(O)=O)O)O)=O
ChEBI Ontology
Outgoing nicotine bitartrate (CHEBI:140115) is a pyridines (CHEBI:26421)
nicotine bitartrate (CHEBI:140115) is a pyrrolidines (CHEBI:38260)
Manual Xrefs Databases
D05156 KEGG DRUG
DBSALT002417 DrugBank
View more database links
Registry Number Type Source
6019-06-3 CAS Registry Number ChemIDplus
Last Modified
17 February 2022