| Entry |
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| Name |
Cocaine;
l-Cocain;
beta-Cocain
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| Formula |
C17H21NO4
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| Exact mass |
303.1471
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| Mol weight |
303.35
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| Structure |
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| Remark |
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| Reaction |
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| Pathway |
| map00960 | Tropane, piperidine and pyridine alkaloid biosynthesis |
| map01064 | Biosynthesis of alkaloids derived from ornithine, lysine and nicotinic acid |
| map01110 | Biosynthesis of secondary metabolites |
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| Enzyme |
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| Brite |
Phytochemical compounds [BR:br08003]
Alkaloids
Alkaloids derived from ornithine
Tropane alkaloids
C01416 Cocaine
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C01416
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
N NERVOUS SYSTEM
N01 ANESTHETICS
N01B ANESTHETICS, LOCAL
N01BC Esters of benzoic acid
N01BC01 Cocaine
D00110 Cocaine (USP)
R RESPIRATORY SYSTEM
R02 THROAT PREPARATIONS
R02A THROAT PREPARATIONS
R02AD Anesthetics, local
R02AD03 Cocaine
D00110 Cocaine (USP)
S SENSORY ORGANS
S01 OPHTHALMOLOGICALS
S01H LOCAL ANESTHETICS
S01HA Local anesthetics
S01HA01 Cocaine
D00110 Cocaine (USP)
S02 OTOLOGICALS
S02D OTHER OTOLOGICALS
S02DA Analgesics and anesthetics
S02DA02 Cocaine
D00110 Cocaine (USP)
Drug groups [BR:br08330]
Neuropsychiatric agent
DG02030 Anesthetics
DG01675 Local anesthetic
DG01674 Esterified local anesthetic
DG00808 Cocaine
D00110 Cocaine
Target-based classification of drugs [BR:br08310]
Ion channels
Voltage-gated ion channels
Sodium channels
SCN1A
D00110 Cocaine (USP)
SCN2A
D00110 Cocaine (USP)
SCN3A
D00110 Cocaine (USP)
SCN4A
D00110 Cocaine (USP)
SCN5A
D00110 Cocaine (USP)
SCN8A
D00110 Cocaine (USP)
SCN9A
D00110 Cocaine (USP)
SCN10A
D00110 Cocaine (USP)
SCN11A
D00110 Cocaine (USP)
Potassium channels
KCNH2
D00110 Cocaine (USP)
Transporters
Solute carrier family
SLC6
SLC6A2 (NAT1)
D00110 Cocaine (USP)
SLC6A3 (DAT1)
D00110 Cocaine (USP)
SLC6A4 (HTT)
D00110 Cocaine (USP)
Narcotics and psychotropics in Japan [br08308.html]
Narcotics by Control Act Article 2 Table 1 (74 substances)
D00110
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| Other DBs |
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| LinkDB |
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| KCF data |
ATOM 22
1 C8y C 24.7194 -20.5625
2 C8x C 25.4094 -21.7733
3 C8x C 26.8038 -21.7777
4 C8x C 27.5085 -20.5715
5 C8x C 26.8114 -19.3606
6 C8x C 25.4170 -19.3560
7 C7a C 23.3186 -20.5582
8 O7a O 22.6182 -19.3417
9 O6a O 22.6106 -21.7699
10 C1x C 20.2834 -19.0137
11 C1y C 18.8873 -18.0241
12 C1y C 18.8116 -19.0137
13 N1y N 18.0804 -17.1440
14 C1x C 17.9035 -18.6028
15 C1x C 17.3875 -19.6613
16 C1a C 18.0704 -15.7655
17 C1y C 20.2834 -18.0241
18 C1y C 21.2279 -19.4729
19 C7a C 20.9216 -16.8213
20 O7a O 22.2872 -16.7791
21 O6a O 20.2317 -15.6246
22 C1a C 23.0214 -17.9640
BOND 24
1 1 7 1
2 1 2 1
3 7 8 1
4 2 3 2
5 7 9 2
6 3 4 1
7 4 5 2
8 5 6 1
9 12 13 1
10 14 15 1
11 13 16 1
12 18 10 1
13 17 11 1
14 17 18 1
15 10 12 1
16 18 8 1 #Up
17 11 13 1
18 17 19 1 #Up
19 11 14 1
20 19 20 1
21 12 15 1
22 19 21 2
23 20 22 1
24 6 1 2
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