COMPOUND: C19691
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Entry
C19691 Compound
Name
Farnesylcysteine;
S-(2E,6E)-Farnesyl-L-cysteine;
S-trans-trans-Farnesylcysteine
Formula
C18H31NO2S
Exact mass
325.2076
Mol weight
325.5092
Structure
Mol file
KCF file
DB search
Reaction
R09562
R09847
Pathway
map00900
Terpenoid backbone biosynthesis
map01110
Biosynthesis of secondary metabolites
Enzyme
1.8.3.5
1.8.3.6
Other DBs
CAS:
68000-92-0
PubChem:
135626159
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KCF data
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ATOM 22
1 C2c C 19.6648 -18.0849
2 C2b C 20.8751 -18.7865
3 C1b C 18.4545 -18.7865
4 C1a C 19.6648 -16.6879
5 C1b C 22.0918 -18.0849
6 C1b C 17.2379 -18.0849
7 C1b C 23.3021 -18.7865
8 C2b C 16.0276 -18.7865
9 C2c C 24.5124 -18.0849
10 C2c C 14.8175 -18.0849
11 C2b C 25.7289 -18.7865
12 C1a C 24.5124 -16.6879
13 C1a C 13.6007 -18.7865
14 C1a C 14.8175 -16.6879
15 C1b C 26.9392 -18.0849
16 S2a S 28.1501 -18.7810
17 C1b C 29.3627 -18.0780
18 C1c C 30.5440 -18.7573
19 C6a C 31.7360 -18.0661
20 O6a O 32.9275 -18.7512
21 O6a O 31.7335 -16.6602
22 N1a N 30.5440 -20.1573
BOND 21
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 1
6 5 7 1
7 6 8 1
8 7 9 1
9 8 10 2
10 9 11 2
11 9 12 1
12 10 13 1
13 10 14 1
14 11 15 1
15 15 16 1
16 16 17 1
17 17 18 1
18 18 19 1
19 19 20 1
20 19 21 2
21 18 22 1 #Up
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