COMPOUND: C03797
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Entry
C03797 Compound
Name
Oxidized Photinus luciferin;
Firefly oxyluciferin;
4,5-Dihydro-2-(6-hydroxy-1,3-benzothiazol-2-yl)thiazol-4-one
Formula
C10H6N2O2S2
Exact mass
249.9871
Mol weight
250.2968
Structure
Mol file
KCF file
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Reaction
R04036
Enzyme
1.13.12.7
Other DBs
PubChem:
6546
ChEBI:
16792
PDB-CCD:
OLU
[
PDBj
]
NIKKAJI:
J1.760.725A
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KCF data
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ATOM 16
1 C8x C 17.5094 -16.1252
2 C8y C 17.5094 -14.7235
3 C8x C 18.7008 -14.0227
4 C8y C 19.9624 -14.7235
5 C8y C 19.9624 -16.1252
6 C8x C 18.7008 -16.8260
7 S2x S 21.2939 -14.3029
8 C8y C 22.0649 -15.4243
9 N5x N 21.2939 -16.5458
10 C2y C 23.4667 -15.4243
11 N2x N 24.2979 -16.5682
12 C5x C 25.6427 -16.1312
13 C1x C 25.6426 -14.7173
14 S2x S 24.2978 -14.2803
15 O1a O 16.3238 -14.0455
16 O5x O 26.7458 -16.9322
BOND 18
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 2
13 11 12 1
14 12 13 1
15 13 14 1
16 10 14 1
17 2 15 1
18 12 16 2
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