Mol:BMFYS1ALa003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
50 52 0 0 1 0 0 0 0 0999 V2000
2.9781 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3353 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4692 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4692 -1.7804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
20.3353 -1.2804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2013 -1.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2013 -2.7804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9444 -1.1113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
21.5377 -0.1977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5432 -0.3023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.0673 -3.2804 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.8740 0.4409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.0820 1.4190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
19.2159 1.9190 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
18.4728 1.2499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.4946 1.4578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.9955 1.8258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.1114 2.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.8795 0.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.8255 0.7147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.9204 3.5013 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
20.5082 2.6923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.3326 4.3103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7294 4.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.8474 0.9226 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
15.6394 -0.0556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0553 1.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8692 1.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2001 0.3873 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
14.9432 -0.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.4569 1.0565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.5309 -0.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5528 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8837 -0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6268 -1.5602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1405 -0.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2145 -1.6342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
10.2364 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5673 -2.1694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5891 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9200 -2.7046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9418 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2727 -3.2399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 -3.7751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -3.5672 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
11.5236 -2.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9274 -0.4752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6328 -1.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16 20 1 6 0 0 0
15 16 1 0 0 0 0
13 20 1 6 0 0 0
15 14 1 0 0 0 0
13 14 1 0 0 0 0
16 17 1 0 0 0 0
17 21 1 0 0 0 0
13 11 1 0 0 0 0
21 26 1 0 0 0 0
26 28 1 0 0 0 0
26 27 2 0 0 0 0
26 29 1 0 0 0 0
33 30 1 0 0 0 0
30 31 2 0 0 0 0
30 32 1 0 0 0 0
33 34 1 0 0 0 0
30 29 1 0 0 0 0
34 35 1 0 0 0 0
35 38 1 0 0 0 0
35 36 1 0 0 0 0
35 37 1 0 0 0 0
38 39 1 0 0 0 0
38 48 1 1 0 0 0
39 49 2 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 44 1 0 0 0 0
43 50 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
14 18 1 1 0 0 0
15 19 1 1 0 0 0
23 22 1 0 0 0 0
22 25 1 0 0 0 0
22 24 2 0 0 0 0
19 22 1 0 0 0 0
47 1 1 0 0 0 0
1 2 2 0 0 0 0
7 8 1 0 0 0 0
6 5 1 0 0 0 0
5 4 2 0 0 0 0
4 3 1 0 0 0 0
3 8 2 0 0 0 0
7 6 2 0 0 0 0
11 10 1 0 0 0 0
10 9 2 0 0 0 0
9 7 1 0 0 0 0
6 11 1 0 0 0 0
8 12 1 0 0 0 0
S SKP 7
ID BMFYS1ALa003
NAME Formyl-CoA
FORMULA C22H36N7O17P3S
EXACTMASS 795.1101
AVERAGEMASS 795.5455
SMILES [C@@H](O1)([C@@H](OP(O)(O)=O)[C@@H](O)[C@@H]1n(c32)cnc2c(N)ncn3)COP(OP(OCC(C)(C)[C@H](C(NCCC(NCCSC=O)=O)=O)O)(O)=O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00798
M END
