COMPOUND: C16152
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Entry
C16152 Compound
Name
Blue pigment;
Nicotine blue;
(E)-2,2',5,5'-Tetrahydroxy-6H,6'H-[3,3'-bipyridinylidene]-6,6'-dione
Formula
C10H6N2O6
Exact mass
250.0226
Mol weight
250.16
Structure
Mol file
KCF file
DB search
Reaction
R07948
R10131
R10132
Pathway
map00760
Nicotinate and nicotinamide metabolism
map01120
Microbial metabolism in diverse environments
Enzyme
1.1.1.328
Other DBs
PubChem:
47205462
ChEBI:
80355
NIKKAJI:
J2.486.577K
LinkDB
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KCF data
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ATOM 18
1 N2x N 15.8547 -14.9385
2 C5x C 15.1537 -16.1525
3 C2y C 15.8547 -17.3667
4 C2x C 17.2566 -17.3667
5 C2y C 17.9576 -16.1525
6 C2y C 17.2566 -14.9385
7 C2y C 19.3593 -16.1525
8 C2y C 20.0508 -17.3498
9 N2x N 21.4527 -17.3496
10 C5x C 22.1535 -16.1354
11 C2y C 21.4621 -14.9383
12 C2x C 20.0602 -14.9384
13 O5x O 13.7520 -16.1525
14 O1a O 17.9576 -13.7244
15 O1a O 15.1427 -18.5995
16 O1a O 19.3644 -18.5386
17 O5x O 23.5654 -16.1353
18 O1a O 22.1629 -13.7241
BOND 19
1 1 2 1
2 2 3 1
3 3 4 2
4 4 5 1
5 5 6 1
6 1 6 2
7 5 7 2
8 7 8 1
9 8 9 2
10 9 10 1
11 10 11 1
12 11 12 2
13 7 12 1
14 2 13 2
15 6 14 1
16 3 15 1
17 8 16 1
18 10 17 2
19 11 18 1
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