COMPOUND: C01727
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Entry
C01727 Compound
Name
Lumichrome;
7,8-Dimethylalloxazine
Formula
C12H10N4O2
Exact mass
242.0804
Mol weight
242.2334
Structure
Mol file
KCF file
DB search
Reaction
R01732
Pathway
map00740
Riboflavin metabolism
Enzyme
3.5.99.1
Other DBs
CAS:
1086-80-2
PubChem:
4864
ChEBI:
17781
KNApSAcK:
C00030694
PDB-CCD:
LUM
[
PDBj
]
3DMET:
B00337
NIKKAJI:
J9.483H
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All DBs
KCF data
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ATOM 18
1 C8y C 27.7359 -21.4147
2 C8y C 27.7359 -20.0109
3 N5x N 26.5188 -22.1102
4 C8y C 28.9529 -22.1102
5 N5x N 26.5188 -19.3088
6 N4x N 28.9529 -19.3088
7 C8y C 25.3209 -21.4147
8 N4x N 30.1572 -21.4147
9 O5x O 28.9529 -23.5140
10 C8y C 25.3209 -20.0109
11 C8y C 30.1572 -20.0109
12 C8x C 24.1038 -22.1102
13 C8x C 24.1038 -19.3088
14 O5x O 31.3679 -19.3152
15 C8y C 22.8865 -21.4147
16 C8y C 22.8865 -20.0109
17 C1a C 21.6761 -22.1165
18 C1a C 21.6761 -19.3088
BOND 20
1 1 2 1
2 1 3 2
3 1 4 1
4 2 5 2
5 2 6 1
6 3 7 1
7 4 8 1
8 4 9 2
9 5 10 1
10 6 11 1
11 7 12 1
12 10 13 1
13 11 14 2
14 12 15 2
15 13 16 2
16 15 17 1
17 16 18 1
18 7 10 2
19 8 11 1
20 15 16 1
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