| Entry |
|
|---|
| Name |
|
|---|
| Formula |
C9H16N3O2S
|
|---|
| Exact mass |
230.0963
|
|---|
| Mol weight |
230.31
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M01061 | Ergothioneine biosynthesis, fungi, histidine => ergothioneine |
| M01062 | Ergothioneine biosynthesis, bacteria, histidine => ergothioneine |
| M01063 | Ergothioneine anaerobic biosynthesis, histidine => ergothioneine |
|
|---|
| Enzyme |
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 15
1 C8y C 9.7300 -20.2300
2 C1b C 10.9424 -20.9300
3 C1c C 12.1549 -20.2300
4 C6a C 13.3673 -20.9300
5 O6a O 14.5797 -20.2300
6 O6a O 13.3673 -22.3300
7 N1d N 12.1549 -18.8302 #+
8 C1a C 13.3861 -18.1192
9 C1a C 10.9613 -18.1410
10 C1a C 12.1549 -17.4302
11 C8x C 9.5837 -18.8377
12 N4x N 8.2142 -18.5466
13 C8y C 7.5142 -19.7590
14 N5x N 8.4510 -20.7994
15 S1a S 6.1001 -19.9080
BOND 15
1 1 2 1
2 2 3 1
3 3 4 1
4 4 5 1
5 4 6 2
6 3 7 1 #Down
7 7 8 1
8 7 9 1
9 7 10 1
10 1 11 2
11 11 12 1
12 12 13 1
13 13 14 2
14 1 14 1
15 13 15 1
|
|---|
