| Entry |
|
|---|
| Name |
Undecylprodigiosin;
2-((3-Methoxy-5-(1H-pyrrol-2-yl)-2H-pyrrol-2-ylidene)methyl)-5-undecyl-1H-pyrrole
|
|---|
| Formula |
C25H35N3O
|
|---|
| Exact mass |
393.278
|
|---|
| Mol weight |
393.5649
|
|---|
| Structure |
|
|---|
| Reaction |
|
|---|
| Pathway |
| map01110 | Biosynthesis of secondary metabolites |
|
|---|
| Module |
| M00838 | Undecylprodigiosin biosynthesis, L-proline => undecylprodigiosin |
|
|---|
| Brite |
Secondary metabolites in pathway maps [br08011.html]
Biosynthetic pathways and modules of secondary metabolites
C12023
|
|---|
| Other DBs |
| CAS: | 52340-48-4 13129-81-2 |
|
|---|
| KCF data |
ATOM 29
1 C8y C 26.6700 -17.9900
2 C8y C 24.3600 -17.9900
3 N4x N 25.4800 -17.2200
4 C8x C 26.1800 -19.3200
5 C8x C 24.7800 -19.3200
6 C2b C 23.1700 -17.2900
7 C2y C 21.9800 -17.9900
8 C2y C 19.6700 -17.9900
9 N2x N 20.7900 -17.1500
10 C2y C 21.4900 -19.3200
11 C2x C 20.0900 -19.3200
12 N4x N 17.1500 -17.1500
13 C8y C 18.2700 -17.9900
14 C8x C 17.8500 -19.3200
15 C8x C 16.4500 -19.3200
16 C8x C 16.0300 -17.9900
17 C1b C 27.8600 -17.3600
18 C1b C 29.0500 -18.0600
19 C1b C 30.2400 -17.3600
20 C1b C 31.5000 -18.0600
21 C1b C 32.6900 -17.3600
22 C1b C 33.8800 -18.0600
23 C1b C 35.1400 -17.3600
24 C1b C 36.3300 -18.0600
25 C1b C 37.5200 -17.3600
26 C1b C 38.7100 -18.0600
27 C1a C 39.9700 -17.3600
28 O2a O 22.3300 -20.5100
29 C1a C 22.3300 -21.9100
BOND 31
1 12 13 1
2 13 14 2
3 14 15 1
4 16 12 1
5 13 8 1
6 2 6 1
7 4 5 1
8 1 17 1
9 5 2 2
10 17 18 1
11 8 9 2
12 18 19 1
13 9 7 1
14 19 20 1
15 7 10 1
16 20 21 1
17 10 11 2
18 21 22 1
19 11 8 1
20 22 23 1
21 15 16 2
22 23 24 1
23 24 25 1
24 2 3 1
25 25 26 1
26 6 7 2
27 26 27 1
28 3 1 1
29 10 28 1
30 1 4 2
31 28 29 1
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|---|
