| | COMPOUND: C20775 | |
Entry |
|
Name |
beta-Citryl-L-glutamate;
beta-Citrylglutamate
|
Formula |
C11H15NO10
|
Exact mass |
321.0696
|
Mol weight |
321.2375
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Structure |
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Reaction |
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Pathway |
map00250 | Alanine, aspartate and glutamate metabolism |
|
Enzyme |
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Other DBs |
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KCF data |
ATOM 22
1 O6a O 14.0435 -16.6362
2 C6a C 15.2359 -15.9477
3 C1b C 16.4284 -16.6362
4 C1d C 17.6208 -15.9477
5 C1b C 18.8132 -16.6362
6 C6a C 20.0058 -15.9477
7 O6a O 21.1982 -16.6362
8 O6a O 15.2359 -14.5710
9 O6a O 20.0058 -14.7088
10 C5a C 17.6208 -14.5708
11 N1b N 18.8153 -13.7435
12 O5a O 16.4304 -13.7458
13 O1a O 17.9773 -17.5531
14 C1c C 18.8153 -12.3435
15 C6a C 20.0490 -11.6315
16 O6a O 21.2345 -12.3163
17 O6a O 20.0495 -10.2203
18 C1b C 17.6040 -11.6440
19 C1b C 16.3576 -12.3200
20 C6a C 15.1451 -11.6200
21 O6a O 13.9327 -12.3200
22 O6a O 15.1451 -10.2202
BOND 21
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 5 6 1
6 6 7 1
7 2 8 2
8 6 9 2
9 4 10 1
10 10 11 1
11 10 12 2
12 4 13 1
13 14 11 1 #Up
14 14 15 1
15 15 16 1
16 15 17 2
17 14 18 1
18 18 19 1
19 19 20 1
20 20 21 1
21 20 22 2
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