COMPOUND: C23017
Help
Entry
C23017 Compound
Name
3-Oxopregnene-20-carboxyl-CoA;
3-Oxo-23,24-bisnorchol-4-en-22-oyl-CoA
Formula
C43H66N7O18P3S
Exact mass
1093.3398
Mol weight
1094.01
Structure
Mol file
KCF file
DB search
Reaction
R13471
R13472
Pathway
map00984
Steroid degradation
map01120
Microbial metabolism in diverse environments
Enzyme
1.3.99.-
2.3.1.16
Other DBs
PubChem:
507530376
LinkDB
All DBs
KCF data
Show
ATOM 72
1 O5a O 15.2600 -15.6100
2 C5a C 15.2600 -17.0100
3 S2a S 16.4500 -17.7100
4 C1b C 17.7100 -17.2900
5 C1b C 18.9000 -17.9900
6 N1b N 20.0200 -17.2900
7 C5a C 21.1400 -17.9900
8 C1b C 22.4000 -17.2900
9 C1b C 23.5200 -17.9900
10 N1b N 24.6400 -17.2900
11 C5a C 25.9000 -17.9900
12 C1c C 27.0200 -17.2900
13 C1d C 28.1400 -17.9900
14 C1b C 29.3300 -17.2900
15 O2b O 30.5900 -17.9900
16 O5a O 21.1400 -19.2500
17 O5a O 25.9000 -19.2500
18 O1a O 27.0200 -15.9600
19 C1a C 28.1400 -16.5900
20 C1a C 28.1400 -19.2500
21 P1b P 31.9200 -17.9900
22 O1c O 33.2500 -17.9900
23 O1c O 31.9200 -19.2500
24 C1y C 25.6200 -13.1600
25 C1y C 26.9500 -13.1600
26 C1y C 27.3700 -11.9000
27 O2x O 26.2500 -11.0600
28 C1y C 25.2000 -11.9000
29 C1b C 28.6300 -11.4800
30 O1a O 24.7800 -14.2800
31 O2b O 27.7900 -14.2800
32 P1b P 29.1200 -14.2800
33 O1c O 29.1200 -12.8800
34 O1c O 30.5200 -14.2800
35 O1c O 29.1200 -15.6100
36 C8y C 21.2100 -10.1500
37 C8y C 21.2100 -11.4800
38 N4y N 23.5900 -11.4800
39 C8x C 23.5900 -10.1500
40 N5x N 22.4000 -9.4500
41 C8y C 20.0900 -9.4500
42 N5x N 18.9000 -10.1500
43 C8x C 18.9000 -11.4800
44 N5x N 20.0900 -12.1800
45 N1a N 20.0900 -8.1200
46 O2b O 30.5900 -11.9000
47 P1b P 31.9200 -11.9000
48 O1c O 31.9200 -10.5700
49 O1c O 33.2500 -11.9000
50 O2c O 31.9200 -14.9800
51 C1x C 7.4900 -22.0500
52 C5x C 7.4900 -23.3100
53 C2x C 8.5400 -23.9400
54 C2y C 9.6600 -23.3100
55 C1z C 9.6600 -22.0500
56 C1x C 8.5400 -21.3500
57 C1x C 10.7100 -23.9400
58 C1x C 11.8300 -23.3100
59 C1y C 11.8300 -22.0500
60 C1y C 10.7100 -21.3500
61 C1y C 12.9500 -21.3500
62 C1z C 12.9500 -20.0900
63 C1x C 11.8300 -19.5300
64 C1x C 10.7100 -20.0900
65 O5x O 6.3700 -23.9400
66 C1a C 9.6600 -20.4400
67 C1a C 12.9500 -18.8300
68 C1x C 15.4000 -21.3500
69 C1x C 15.4000 -20.0900
70 C1y C 14.1400 -19.3900
71 C1c C 14.1400 -17.7100
72 C1a C 12.9500 -17.0100
BOND 78
1 1 2 2
2 2 3 1
3 4 3 1
4 4 5 1
5 5 6 1
6 6 7 1
7 7 8 1
8 8 9 1
9 9 10 1
10 10 11 1
11 11 12 1
12 12 13 1
13 13 14 1
14 14 15 1
15 7 16 2
16 11 17 2
17 12 18 1 #Down
18 13 19 1
19 13 20 1
20 15 21 1
21 21 22 2
22 21 23 1
23 24 25 1
24 25 26 1
25 26 27 1
26 27 28 1
27 24 28 1
28 26 29 1 #Down
29 24 30 1 #Up
30 25 31 1 #Up
31 31 32 1
32 32 33 1
33 32 34 1
34 32 35 2
35 36 37 2
36 37 38 1
37 28 38 1 #Down
38 38 39 1
39 39 40 2
40 36 40 1
41 36 41 1
42 41 42 2
43 42 43 1
44 43 44 2
45 37 44 1
46 41 45 1
47 29 46 1
48 46 47 1
49 47 48 1
50 47 49 2
51 47 50 1
52 21 50 1
53 51 52 1
54 52 53 1
55 53 54 2
56 54 55 1
57 55 56 1
58 51 56 1
59 54 57 1
60 57 58 1
61 58 59 1
62 59 60 1
63 55 60 1
64 59 61 1
65 61 62 1
66 62 63 1
67 63 64 1
68 60 64 1
69 52 65 2
70 55 66 1 #Up
71 62 67 1 #Up
72 68 69 1
73 69 70 1
74 62 70 1
75 61 68 1
76 70 71 1
77 71 72 1 #Down
78 2 71 1
» Japanese version
DBGET
integrated database retrieval system
