COMPOUND: C21460
Help
Entry
C21460 Compound
Name
(3-Hydroxy-4-methylanthranilyl)adenylate;
3-Hydroxy-4-methylanthraniloyl-AMP;
2-Amino-3-hydroxy-4-methylbenzoyl-AMP
Formula
C18H21N6O9P
Exact mass
496.1108
Mol weight
496.37
Structure
Mol file
KCF file
DB search
Reaction
R11554
Enzyme
2.7.7.97
Other DBs
PubChem:
329728083
LinkDB
All DBs
KCF data
Show
ATOM 34
1 N4y N 23.0285 -14.6851
2 C8y C 24.1025 -15.4264
3 C1y C 21.7440 -15.1053
4 C8x C 23.5130 -13.2839
5 C8y C 25.3403 -14.5157
6 N5x N 24.2369 -16.8509
7 O2x O 20.5998 -14.2471
8 C1y C 21.3121 -16.3605
9 N5x N 24.9666 -13.2897
10 C8y C 26.6012 -15.0702
11 C8x C 25.5680 -17.4404
12 C1y C 19.4906 -15.0468
13 C1y C 19.9226 -16.3605
14 O1a O 21.9717 -17.4988
15 N5x N 26.7648 -16.5648
16 N1a N 27.7105 -14.2413
17 C1b C 18.1653 -14.6150
18 O1a O 19.4731 -17.6857
19 O2b O 17.1261 -15.5431
20 P1b P 15.7252 -15.5431
21 O7a O 14.3298 -15.5431
22 O1c O 15.7192 -16.9442
23 O1c O 15.7192 -14.1479
24 C7a C 13.1213 -14.8427
25 C8y C 11.9128 -15.5373
26 O6a O 13.1213 -13.4473
27 C8y C 11.9128 -16.9325
28 C8x C 10.7044 -14.8427
29 C8y C 10.7044 -17.6331
30 C8x C 9.4902 -15.5373
31 C8y C 9.4902 -16.9325
32 N1a N 13.1230 -17.6297
33 O1a O 10.7057 -19.0298
34 C1a C 8.2972 -17.6218
BOND 37
1 3 1 1 #Up
2 1 4 1
3 2 5 2
4 2 6 1
5 3 7 1
6 3 8 1
7 4 9 2
8 5 10 1
9 6 11 2
10 7 12 1
11 8 13 1
12 8 14 1 #Down
13 10 15 2
14 10 16 1
15 12 17 1 #Up
16 13 18 1 #Down
17 17 19 1
18 19 20 1
19 20 21 1
20 20 22 1
21 20 23 2
22 21 24 1
23 24 25 1
24 24 26 2
25 25 27 1
26 25 28 2
27 27 29 2
28 28 30 1
29 29 31 1
30 5 9 1
31 11 15 1
32 12 13 1
33 30 31 2
34 27 32 1
35 1 2 1
36 29 33 1
37 31 34 1
» Japanese version
DBGET
integrated database retrieval system
