Preferred Name |
cocaine |
|
Synonyms |
|
|
Definitions |
A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. |
|
ID |
http://purl.obolibrary.org/obo/CHEBI_27958 |
|
charge |
0 |
|
definition |
A tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. |
|
formula |
C17H21NO4 |
|
has role |
http://purl.obolibrary.org/obo/CHEBI_35337 http://purl.obolibrary.org/obo/CHEBI_76924 http://purl.obolibrary.org/obo/CHEBI_51039 http://purl.obolibrary.org/obo/CHEBI_35524 http://purl.obolibrary.org/obo/CHEBI_50949 http://purl.obolibrary.org/obo/CHEBI_35703 http://purl.obolibrary.org/obo/CHEBI_36333 http://purl.obolibrary.org/obo/CHEBI_75771 http://purl.obolibrary.org/obo/CHEBI_38633 http://purl.obolibrary.org/obo/CHEBI_35640 |
|
inchi |
InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1 |
|
inchikey |
ZPUCINDJVBIVPJ-LJISPDSOSA-N |
|
is_conjugate_base_of | ||
label |
cocaine |
|
mass |
303.35290 |
|
monoisotopicmass |
303.14706 |
|
prefixIRI |
CHEBI:27958 |
|
prefLabel |
cocaine |
|
smiles |
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |
|
subClassOf |
http://purl.obolibrary.org/obo/CHEBI_37332 http://purl.obolibrary.org/obo/CHEBI_36054 |