| Entry |
|
| Name |
C00022_C00041
|
|
 |
| Compound |
|
| Type |
main
|
| RDM |
1
1 C5a-C1c:O5a+*-*+N1a:C1a+C6a-C1a+C6a
|
| RClass |
|
| Related pair |
|
| Reaction |
|
| Enzyme |
|
| KCF data |
 ALIGN 5
1 1:C5a 1:C1c #R1
2 2:C6a 2:C6a #M1
3 3:C1a 3:C1a #M1
4 5:O6a 5:O6a
5 6:O6a 6:O6a
- 4:O5a * #D1
- * 4:N1a #D1
ENTRY1
COMPOUND C00022
ATOM 6
1 C5a C -0.3241 0.1862
2 C6a C 0.3241 -0.1862
3 C1a C -0.9724 -0.1862
4 O5a O -0.3241 0.9379
5 O6a O 0.3241 -0.9379
6 O6a O 0.9724 0.1897
BOND 5
1 1 2 1
2 1 3 1
3 1 4 2
4 2 5 1
5 2 6 2
ENTRY2
COMPOUND C00041
ATOM 6
1 C1c C 21.7838 -17.8048
2 C6a C 20.6419 -17.0552
3 C1a C 23.0137 -17.1196
4 N1a N 21.8249 -19.2102
5 O6a O 19.4123 -17.7404
6 O6a O 20.5834 -15.6440
BOND 5
1 1 2 1
2 1 3 1
3 1 4 1 #Down
4 2 5 1
5 2 6 2
|