Entry |
|
Name |
13(1)-Hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester;
13(1)-Hydroxy-Mg-protoporphyrin IX 13-monomethyl ester
|
Formula |
C35H34MgN4O5
|
Exact mass |
614.2380
|
Mol weight |
614.97
|
Structure |
|
Reaction |
|
Pathway |
map01110 | Biosynthesis of secondary metabolites |
|
Enzyme |
|
Other DBs |
|
LinkDB |
|
KCF data |
ATOM 45
1 C8y C 28.1672 -23.0969
2 C8x C 26.9262 -23.6343
3 N4y N 28.2691 -21.7363
4 C8y C 29.4974 -23.6044
5 C8y C 25.6489 -23.1215
6 C8y C 29.5803 -21.4202
7 C8y C 30.3026 -22.5653
8 C8y C 24.4444 -23.7223
9 N5x N 25.4335 -21.7728
10 C8x C 30.0697 -20.2026
11 N4y N 25.3387 -18.8482
12 C8y C 23.4772 -22.8209
13 C8y C 24.1106 -21.5515
14 C8y C 29.5686 -18.9864
15 C8y C 25.5120 -17.5066
16 C8y C 23.9900 -19.0872
17 C8x C 23.5605 -20.3527
18 C8y C 30.1833 -17.7570
19 N5x N 28.2257 -18.7767
20 C8y C 24.2897 -16.9282
21 C8x C 26.7413 -16.8451
22 C8y C 23.3461 -17.8998
23 C8y C 29.2173 -16.8206
24 C8y C 28.0055 -17.4469
25 C2b C 24.2711 -15.5491
26 C1a C 21.9871 -17.8998
27 C1a C 29.2056 -15.4484
28 C2a C 25.4601 -14.8530
29 C2b C 31.5378 -17.5307
30 C2a C 32.4559 -18.6388
31 C1c C 29.4672 -25.0471
32 O1a O 30.6995 -25.7934
33 C1b C 24.3893 -25.0722
34 C1b C 23.1941 -25.6993
35 C6a C 23.1388 -27.0420
36 O6a O 21.9367 -27.6691
37 O6a O 24.2717 -27.7717
38 C1a C 22.0368 -22.8944
39 C1a C 31.6163 -22.6357
40 Z Mg 26.7588 -20.3003
41 C1b C 28.1982 -25.7418
42 C7a C 28.1684 -27.1835
43 O6a O 26.9065 -27.8783
44 O7a O 29.4005 -27.9300
45 C1a C 30.6695 -27.2351
BOND 50
1 14 18 1
2 14 19 2
3 15 20 2
4 15 21 1
5 16 22 2
6 18 23 2
7 19 24 1
8 20 25 1
9 22 26 1
10 23 27 1
11 6 7 1
12 12 13 1
13 16 17 1
14 20 22 1
15 21 24 2
16 23 24 1
17 25 28 2
18 18 29 1
19 29 30 2
20 1 2 2
21 4 31 1
22 1 3 1
23 31 32 1
24 1 4 1
25 8 33 1
26 2 5 1
27 33 34 1
28 3 6 1
29 34 35 1
30 4 7 2
31 35 36 1
32 5 8 1
33 35 37 2
34 5 9 2
35 12 38 1
36 6 10 2
37 7 39 1
38 8 12 2
39 11 40 1
40 3 40 1
41 9 13 1
42 31 41 1
43 10 14 1
44 41 42 1
45 11 15 1
46 42 43 2
47 11 16 1
48 42 44 1
49 13 17 2
50 44 45 1
|