Mol:BMFYS4CAa023
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
55 57 0 0 1 0 0 0 0 0999 V2000
2.6691 -4.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3164 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3601 -3.1514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6036 -4.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.6517 -2.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.7856 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7856 -1.2452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.6517 -0.7452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5177 -1.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.5177 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2608 -0.5761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
23.8541 0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.8596 0.2330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
24.3837 -2.7452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.1904 0.9761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.3984 1.9543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
21.5323 2.4543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.7892 1.7851 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.8110 1.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3119 2.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.4278 3.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.1959 0.8716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.1419 1.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.2368 4.0366 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
22.8246 3.2275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.6490 4.8456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.0458 4.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.1638 1.4578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
17.9559 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3717 2.4360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.1856 1.6657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.5165 0.9226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
17.2596 0.2534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7733 1.5917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8474 0.1794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8692 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2001 -0.3558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9432 -1.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4569 0.3133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.5309 -1.0990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.5528 -0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8837 -1.6342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9055 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2364 -2.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2582 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5891 -2.7046 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6110 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9418 -3.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9637 -3.0320 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
13.8400 -2.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2438 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9492 -1.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21 25 1 6 0 0 0
20 21 1 0 0 0 0
18 25 1 6 0 0 0
20 19 1 0 0 0 0
18 19 1 0 0 0 0
21 22 1 0 0 0 0
22 26 1 0 0 0 0
18 16 1 0 0 0 0
26 31 1 0 0 0 0
31 33 1 0 0 0 0
31 32 2 0 0 0 0
31 34 1 0 0 0 0
38 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
38 39 1 0 0 0 0
35 34 1 0 0 0 0
39 40 1 0 0 0 0
40 43 1 0 0 0 0
40 41 1 0 0 0 0
40 42 1 0 0 0 0
43 44 1 0 0 0 0
43 53 1 1 0 0 0
44 54 2 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
48 55 2 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
51 52 1 0 0 0 0
19 23 1 1 0 0 0
20 24 1 1 0 0 0
28 27 1 0 0 0 0
27 30 1 0 0 0 0
27 29 2 0 0 0 0
24 27 1 0 0 0 0
52 4 1 0 0 0 0
4 3 1 0 0 0 0
4 7 2 0 0 0 0
12 13 1 0 0 0 0
11 10 1 0 0 0 0
10 9 2 0 0 0 0
9 8 1 0 0 0 0
8 13 2 0 0 0 0
12 11 2 0 0 0 0
16 15 1 0 0 0 0
15 14 2 0 0 0 0
14 12 1 0 0 0 0
11 16 1 0 0 0 0
13 17 1 0 0 0 0
3 2 1 0 0 0 0
1 6 1 0 0 0 0
1 5 2 0 0 0 0
2 1 1 0 0 0 0
S SKP 7
ID BMFYS4CAa023
NAME Succinyl-CoA
FORMULA C25H40N7O19P3S
EXACTMASS 867.1312
AVERAGEMASS 867.6081
SMILES n(c3N)cnc(c32)n(cn2)[C@@H]([C@@H]1O)O[C@@H]([C@H]1OP(O)(O)=O)COP(OP(O)(=O)OCC([C@@H](O)C(NCCC(NCCSC(=O)CCC(O)=O)=O)=O)(C)C)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00091
M END
