COMPOUND: C05652
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Entry
C05652 Compound
Name
4-(2-Amino-5-hydroxyphenyl)-2,4-dioxobutanoate
Formula
C10H9NO5
Exact mass
223.0481
Mol weight
223.1822
Structure
Mol file
KCF file
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Reaction
R04913
R04914
Pathway
map00380
Tryptophan metabolism
Enzyme
2.6.1.-
Other DBs
PubChem:
7963
3DMET:
B00826
NIKKAJI:
J2.756.661H
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KCF data
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ATOM 16
1 C8y C 23.9276 -17.2490
2 C5a C 25.1351 -16.5464
3 C8y C 23.9276 -18.6510
4 C8x C 22.7167 -16.5498
5 C1b C 26.3459 -17.2457
6 O5a O 25.1316 -15.1445
7 C8x C 22.7167 -19.3502
8 N1a N 25.1351 -19.3502
9 C8y C 21.5024 -17.2490
10 C5a C 27.5568 -16.5396
11 C8x C 21.5024 -18.6510
12 O1a O 20.2882 -16.5498
13 C6a C 28.7710 -17.2422
14 O5a O 27.5534 -15.1377
15 O6a O 28.7677 -18.6407
16 O6a O 29.9820 -16.5430
BOND 16
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
6 3 7 2
7 3 8 1
8 4 9 1
9 5 10 1
10 7 11 1
11 9 12 1
12 10 13 1
13 10 14 2
14 13 15 2
15 13 16 1
16 9 11 2
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