COMPOUND: C22995
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Entry
C22995 Compound
Name
(Sulfonamide-N)(L-isoleucyl)altemicidin;
SB-203207;
4-(Aminocarbonyl)-7-[[(2-amino-3-methylpentanoyl)aminosulphonyl]acetamido]-2,4a,5,6,7,7a-hexahydro-6-hydroxy-2-methyl-1H-2- pyrindine-7-carboxylate
Formula
C19H31N5O8S
Exact mass
489.1893
Mol weight
489.55
Structure
Mol file
KCF file
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Reaction
R13433
R13434
Enzyme
2.3.2.38
2.3.2.39
Other DBs
PubChem:
505028101
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All DBs
KCF data
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ATOM 33
1 N1y N 11.5864 -15.7960
2 C2x C 11.5864 -17.2067
3 C2y C 12.7855 -17.9120
4 C1y C 14.0551 -17.2067
5 C1y C 14.0551 -15.7960
6 C1x C 12.7855 -15.0907
7 C1x C 15.3952 -17.6299
8 C1y C 16.1710 -16.5014
9 C1z C 15.3952 -15.3728
10 O1a O 16.9469 -17.6299
11 N1b N 15.8184 -14.0327
12 C5a C 17.0174 -13.3274
13 C1b C 18.2165 -14.0327
14 S4a S 19.4861 -13.3274
15 O5a O 17.0174 -11.9168
16 N1b N 20.6851 -14.0327
17 C5a C 21.8842 -13.3274
18 C1c C 23.1537 -14.0327
19 C1c C 24.3528 -13.3274
20 C5a C 12.7855 -19.3226
21 O5a O 11.5864 -20.0280
22 N1a N 13.9845 -20.0280
23 C1a C 10.3874 -15.0907
24 O3c O 18.4986 -12.3399
25 O3c O 20.4735 -12.3399
26 O5a O 21.8842 -11.9168
27 C1b C 25.5518 -14.0327
28 C1a C 26.8214 -13.3274
29 C1a C 24.3528 -11.9168
30 N1a N 23.1537 -15.4434
31 C6a C 16.7353 -15.3728
32 O6a O 17.5817 -16.6424
33 O6a O 17.4406 -14.4559
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 1
5 5 6 1
6 1 6 1
7 4 7 1
8 7 8 1
9 8 9 1
10 5 9 1
11 8 10 1 #Up
12 9 11 1 #Up
13 11 12 1
14 12 13 1
15 13 14 1
16 12 15 2
17 14 16 1
18 16 17 1
19 17 18 1
20 18 19 1
21 3 20 1
22 20 21 2
23 20 22 1
24 1 23 1
25 14 24 2
26 14 25 2
27 17 26 2
28 19 27 1
29 27 28 1
30 19 29 1 #Up
31 18 30 1 #Down
32 9 31 1 #Down
33 31 32 1
34 31 33 2
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