COMPOUND: C13745
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Entry
C13745 Compound
Name
Pyridoxalphosphate-6-azophenyl-2',4'-disulfonic acid;
PPADS
Formula
C14H14N3O12PS2
Exact mass
510.9757
Mol weight
511.3776
Structure
Mol file
KCF file
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Other DBs
CAS:
149017-66-3
PubChem:
586334
ChEBI:
34941
PDB-CCD:
UO6
[
PDBj
]
NIKKAJI:
J508.318D
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KCF data
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ATOM 32
1 C8y C 25.5336 -18.1320
2 C8y C 24.3072 -17.4280
3 C8y C 25.5300 -19.5465
4 C1b C 26.7440 -17.4277
5 C8y C 23.0967 -18.1259
6 C4a C 24.3042 -16.0325
7 N5x N 24.3001 -20.2571
8 O2b O 27.9512 -17.4315
9 C8y C 23.0931 -19.5403
10 O1a O 21.8832 -17.4219
11 O4a O 25.5149 -15.3285
12 P1b P 29.3336 -17.4543
13 C1a C 21.8762 -20.2318
14 O1c O 30.7289 -17.4578
15 O1c O 29.3237 -18.6686
16 O1c O 29.3371 -16.0592
17 N2b N 26.7443 -20.2606
18 N2b N 27.9615 -19.5628
19 C8y C 29.1798 -20.2700
20 C8x C 30.4016 -19.5686
21 C8x C 31.6199 -20.2759
22 C8y C 31.6634 -21.6846
23 C8x C 30.3949 -22.3860
24 C8y C 29.1764 -21.6788
25 S4a S 32.8348 -22.3919
26 S4a S 27.9548 -22.3802
27 O1d O 34.0564 -21.6904
28 O1d O 32.8314 -23.8006
29 O1d O 34.0373 -23.1146
30 O1d O 27.9514 -23.7890
31 O1d O 26.7365 -21.4630
32 O1d O 26.5055 -23.2184
BOND 33
1 7 9 2
2 3 17 1
3 1 2 1
4 17 18 2
5 1 3 2
6 18 19 1
7 1 4 1
8 2 5 2
9 2 6 1
10 3 7 1
11 4 8 1
12 19 20 2
13 20 21 1
14 21 22 2
15 22 23 1
16 23 24 2
17 24 19 1
18 5 9 1
19 22 25 1
20 5 10 1
21 24 26 1
22 6 11 2
23 25 27 2
24 8 12 1
25 25 28 1
26 9 13 1
27 25 29 2
28 12 14 1
29 26 30 1
30 12 15 1
31 26 31 2
32 12 16 2
33 26 32 2
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