COMPOUND: C21288
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Entry
C21288 Compound
Name
(2S,3R)-2-Hydroxy-3-(indol-3-yl)butanoate;
Indolmycenate
Formula
C12H13NO3
Exact mass
219.0895
Mol weight
219.24
Structure
Mol file
KCF file
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Reaction
R11336
Enzyme
1.1.1.397
Other DBs
PubChem:
318172268
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KCF data
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ATOM 16
1 C8x C 10.6400 -14.7000
2 C8x C 10.6400 -16.1000
3 C8x C 11.8524 -16.8000
4 C8y C 13.0649 -16.1000
5 C8y C 13.0649 -14.7000
6 C8x C 11.8524 -14.0000
7 N4x N 14.3964 -16.5326
8 C8x C 15.2193 -15.4000
9 C8y C 14.3964 -14.2674
10 C1c C 14.8275 -12.9406
11 C1c C 16.2069 -12.6474
12 C1a C 13.9011 -11.9115
13 O1a O 17.2395 -13.9969
14 C6a C 16.6363 -11.3273
15 O6a O 18.0257 -11.0322
16 O6a O 15.7169 -10.3054
BOND 17
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 9 10 1
12 10 11 1
13 10 12 1 #Up
14 11 13 1 #Up
15 11 14 1
16 14 15 1
17 14 16 2
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