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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | nicotine bitartrate | |
| Synonyms |
|
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_140115 |
|
| charge |
0
|
|
| database_cross_reference |
CAS:6019-06-3 DrugBank:DBSALT002417 KEGG:D05156
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|
| formula |
C18H30N2O14
|
|
| has_obo_namespace |
chebi_ontology
|
|
| id |
CHEBI:140115
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|
| in_subset | ||
| 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
|
|
| label |
nicotine bitartrate
|
|
| mass |
498.437
|
|
| monoisotopicmass |
498.16970
|
|
| notation |
CHEBI:140115
|
|
| prefLabel |
nicotine bitartrate
|
|
| 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
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| treeView | ||
| subClassOf |
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