COMPOUND: C06552
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Entry
C06552 Compound
Name
Hydroxyatrazine;
4-(Ethylamino)-2-hydroxy-6-(isopropylamino)-1,3,5-triazine
Formula
C8H15N5O
Exact mass
197.1277
Mol weight
197.24
Structure
Mol file
KCF file
DB search
Reaction
R05558
R05559
Pathway
map00791
Atrazine degradation
map01100
Metabolic pathways
map01120
Microbial metabolism in diverse environments
Enzyme
3.5.4.43
3.8.1.8
Other DBs
CAS:
2163-68-0
PubChem:
8781
ChEBI:
18316
PDB-CCD:
OKM
[
PDBj
]
NIKKAJI:
J9.489G
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All DBs
KCF data
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ATOM 14
1 C8y C 30.0737 -18.3705
2 N5x N 28.8626 -19.0726
3 N5x N 30.0737 -16.9722
4 N1b N 31.2849 -19.0668
5 C8y C 27.6455 -18.3705
6 C8y C 28.8626 -16.2701
7 C1c C 32.4960 -18.3705
8 N5x N 27.6455 -16.9722
9 N1b N 26.4344 -19.0726
10 O1a O 28.8626 -14.8716
11 C1a C 33.7070 -19.0668
12 C1a C 32.4960 -16.9663
13 C1b C 25.2232 -18.3705
14 C1a C 24.0123 -19.0726
BOND 14
1 1 2 2
2 1 3 1
3 1 4 1
4 2 5 1
5 3 6 2
6 4 7 1
7 5 8 2
8 5 9 1
9 6 10 1
10 7 11 1
11 7 12 1
12 9 13 1
13 13 14 1
14 6 8 1
ยป Japanese version
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