COMPOUND: C21528
Help
Entry
C21528 Compound
Name
(9Z,12Z)-Hexadeca-9,12,15-trienoyl-CoA
Formula
C37H60N7O17P3S
Exact mass
999.2979
Mol weight
999.90
Structure
Mol file
KCF file
DB search
Reaction
R11643
Enzyme
1.14.19.13
Other DBs
PubChem:
336445166
LinkDB
All DBs
KCF data
Show
ATOM 65
1 C1b C 27.8600 -20.8600
2 C5a C 29.1200 -20.1600
3 S2a S 30.3100 -20.8600
4 C1b C 31.5000 -20.1600
5 C1b C 32.7600 -20.8600
6 N1b N 33.9500 -20.1600
7 C5a C 35.1400 -20.8600
8 C1b C 36.4000 -20.1600
9 C1b C 37.5900 -20.8600
10 N1b N 38.7800 -20.1600
11 C5a C 40.0400 -20.8600
12 C1c C 41.2300 -20.1600
13 C1d C 42.4200 -20.8600
14 C1b C 43.6100 -20.1600
15 O2b O 44.8700 -20.8600
16 O5a O 29.1200 -18.7600
17 O5a O 35.1400 -22.2600
18 O5a O 40.0400 -22.2600
19 O1a O 41.2300 -18.7600
20 C1a C 42.4200 -19.4600
21 C1a C 42.4200 -22.2600
22 P1b P 46.2700 -20.8600
23 O1c O 47.6700 -20.8600
24 O1c O 46.2700 -22.2600
25 C1y C 39.7600 -15.8900
26 C1y C 41.1600 -15.8900
27 C1y C 41.5800 -14.5600
28 O2x O 40.4600 -13.7200
29 C1y C 39.3400 -14.5600
30 C1b C 42.9100 -14.1400
31 O1a O 38.9200 -17.0100
32 O2b O 42.0000 -17.0100
33 P1b P 43.4000 -17.0100
34 O1c O 43.4000 -15.6100
35 O1c O 44.8000 -17.0100
36 O1c O 43.4000 -18.4100
37 C8y C 35.2100 -12.7400
38 C8y C 35.2100 -14.1400
39 N4y N 37.6600 -14.1400
40 C8x C 37.6600 -12.7400
41 N5x N 36.4000 -12.0400
42 C8y C 34.0200 -12.0400
43 N5x N 32.7600 -12.7400
44 C8x C 32.7600 -14.1400
45 N5x N 34.0200 -14.8400
46 N1a N 34.0200 -10.6400
47 O2b O 44.8700 -14.5600
48 P1b P 46.2700 -14.5600
49 O1c O 46.2700 -13.1600
50 O1c O 47.6700 -14.5600
51 O2c O 46.2700 -17.7800
52 C1b C 26.6700 -20.1600
53 C1b C 25.4100 -20.8600
54 C1b C 24.2200 -20.1600
55 C1b C 23.0300 -20.8600
56 C1b C 21.7700 -20.1600
57 C1b C 20.5800 -20.8600
58 C2b C 19.3900 -20.1600
59 C2b C 17.7100 -20.1600
60 C1b C 16.5200 -20.8600
61 C2b C 15.3019 -20.1699
62 C2b C 13.9019 -20.1699
63 C1b C 12.6895 -20.8699
64 C2b C 11.4582 -20.1590
65 C2a C 10.2618 -20.8499
BOND 67
1 1 2 1
2 2 3 1
3 3 4 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 2 16 2
16 7 17 2
17 11 18 2
18 12 19 1 #Down
19 13 20 1
20 13 21 1
21 15 22 1
22 22 23 2
23 22 24 1
24 25 26 1
25 26 27 1
26 27 28 1
27 28 29 1
28 25 29 1
29 27 30 1 #Down
30 25 31 1 #Up
31 26 32 1 #Up
32 32 33 1
33 33 34 1
34 33 35 1
35 33 36 2
36 37 38 2
37 38 39 1
38 39 40 1
39 40 41 2
40 37 41 1
41 37 42 1
42 42 43 2
43 43 44 1
44 44 45 2
45 38 45 1
46 42 46 1
47 29 39 1 #Down
48 30 47 1
49 47 48 1
50 48 49 1
51 48 50 2
52 48 51 1
53 22 51 1
54 1 52 1
55 52 53 1
56 53 54 1
57 54 55 1
58 55 56 1
59 56 57 1
60 57 58 1
61 58 59 2
62 59 60 1
63 60 61 1
64 61 62 2
65 62 63 1
66 63 64 1
67 64 65 2
» Japanese version
DBGET
integrated database retrieval system