COMPOUND: C16463
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Entry
C16463 Compound
Name
3',5'-Cyclic diGMP;
cdiGMP;
3',5'-Cyclic diguanylic acid;
Bis-(3',5')-cyclic diGMP;
Cyclic di-3',5'-guanylate
Formula
C20H24N10O14P2
Exact mass
690.0949
Mol weight
690.4107
Structure
Mol file
KCF file
DB search
Reaction
R08057
R08991
Pathway
map02020
Two-component system
map02024
Quorum sensing
map02025
Biofilm formation - Pseudomonas aeruginosa
map02026
Biofilm formation - Escherichia coli
map04112
Cell cycle - Caulobacter
map05111
Biofilm formation - Vibrio cholerae
Enzyme
2.7.7.65
3.1.4.52
Other DBs
CAS:
61093-23-0
PubChem:
47205759
ChEBI:
49537
PDB-CCD:
C2E
[
PDBj
]
NIKKAJI:
J687.951I
LinkDB
All DBs
KCF data
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ATOM 46
1 C8y C 27.2300 -11.6200
2 N4y N 26.1800 -10.9200
3 C8y C 28.4900 -10.7100
4 N5x N 27.3700 -13.0900
5 C1y C 24.9200 -11.3400
6 C8x C 26.6700 -9.5200
7 N5x N 28.1400 -9.5200
8 C8y C 29.7500 -11.2700
9 C8y C 28.7000 -13.6500
10 O2x O 23.7300 -10.4300
11 C1y C 24.4300 -12.6000
12 N4x N 29.8900 -12.7400
13 O5x O 30.8700 -10.4300
14 N1a N 28.7000 -15.0500
15 C1y C 22.6800 -11.2700
16 C1y C 23.1000 -12.6000
17 O1a O 25.2700 -13.7200
18 C1x C 21.3500 -10.8500
19 O2x O 22.6100 -13.8600
20 O2x O 20.3000 -11.7600
21 P1b P 18.9000 -11.7600
22 O1c O 17.5000 -11.7600
23 O1c O 18.9000 -10.3600
24 C8y C 14.2800 -15.4000
25 N4y N 15.3300 -16.1000
26 C8y C 13.0200 -16.3100
27 N5x N 14.1400 -13.9300
28 C1y C 16.5900 -15.6800
29 C8x C 14.8400 -17.5000
30 N5x N 13.3700 -17.5000
31 C8y C 11.7600 -15.7500
32 C8y C 12.8100 -13.3700
33 O2x O 17.7800 -16.5900
34 C1y C 17.0100 -14.4200
35 N4x N 11.6200 -14.2800
36 O5x O 10.6400 -16.5900
37 N1a N 12.8100 -11.9700
38 C1y C 18.8300 -15.7500
39 C1y C 18.4100 -14.4200
40 O1a O 16.2400 -13.3000
41 C1x C 20.1600 -16.1700
42 O2x O 18.9000 -13.1600
43 O2x O 21.2100 -15.2600
44 P1b P 22.6100 -15.2600
45 O1c O 24.0100 -15.2600
46 O1c O 22.6100 -16.6600
BOND 52
1 1 2 1
2 1 3 2
3 1 4 1
4 5 2 1 #Up
5 2 6 1
6 3 7 1
7 3 8 1
8 4 9 2
9 5 10 1
10 5 11 1
11 8 12 1
12 8 13 2
13 9 14 1
14 10 15 1
15 11 16 1
16 11 17 1 #Down
17 15 18 1 #Up
18 16 19 1 #Down
19 18 20 1
20 20 21 1
21 21 22 1
22 21 23 2
23 6 7 2
24 9 12 1
25 15 16 1
26 24 25 1
27 24 26 2
28 24 27 1
29 28 25 1 #Up
30 25 29 1
31 26 30 1
32 26 31 1
33 27 32 2
34 28 33 1
35 28 34 1
36 31 35 1
37 31 36 2
38 32 37 1
39 33 38 1
40 34 39 1
41 34 40 1 #Down
42 38 41 1 #Up
43 39 42 1 #Down
44 41 43 1
45 43 44 1
46 44 19 1
47 44 45 1
48 44 46 2
49 29 30 2
50 32 35 1
51 38 39 1
52 21 42 1
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