COMPOUND: C12026
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Entry
C12026 Compound
Name
3,5-Dihydroxy-phenylglycine;
L-3,5-Dihydroxyphenylglycine;
(S)-3,5-Dihydroxyphenylglycine
Formula
C8H9NO4
Exact mass
183.0532
Mol weight
183.1614
Structure
Mol file
KCF file
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Reaction
R06634
Pathway
map01055
Biosynthesis of vancomycin group antibiotics
map01110
Biosynthesis of secondary metabolites
Enzyme
2.6.1.103
Other DBs
CAS:
146255-66-5
PubChem:
14183
ChEBI:
29474
PDB-CCD:
3FG
[
PDBj
]
3DMET:
B04411
NIKKAJI:
J516.528H
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KCF data
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ATOM 13
1 C1c C 24.0017 -18.5532
2 C6a C 22.7358 -17.8196
3 C8y C 25.2680 -17.8196
4 O6a O 22.7358 -16.3593
5 O6a O 21.4625 -18.5532
6 N1a N 24.0088 -20.0207
7 C8x C 25.2738 -16.4905
8 C8x C 26.4031 -18.4972
9 C8y C 26.4264 -15.8317
10 C8y C 27.6040 -17.9552
11 C8x C 27.5806 -16.5139
12 O1a O 26.4379 -14.4975
13 O1a O 28.8395 -18.7395
BOND 13
1 2 4 2
2 2 5 1
3 1 3 1
4 3 7 1
5 3 8 2
6 7 9 2
7 8 10 1
8 9 11 1
9 10 11 2
10 1 6 1 #Down
11 9 12 1
12 1 2 1
13 10 13 1
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