Mol:BMMCPYCTq003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 38 0 0 1 0 0 0 0 0999 V2000
2.9135 2.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7226 3.2649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.3103 2.4558 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3049 2.5604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 3.8526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1348 4.0739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5415 4.9874 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
4.4551 4.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6280 5.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9483 5.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9036 1.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8927 1.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -2.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2736 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2736 -4.4010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -4.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0056 -4.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0056 -3.4010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4075 -2.9010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -5.9010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1396 -1.9010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.9486 -1.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.6396 -0.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.0518 0.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9486 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.2274 0.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3306 -1.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0573 0.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4695 1.1514 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.6605 0.5636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.2785 1.7392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8817 1.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8872 1.8559 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.9917 0.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7826 2.8504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 2 1 0 0 0 0
2 3 1 0 0 0 0
2 5 1 1 0 0 0
2 7 1 6 0 0 0
3 4 1 0 0 0 0
4 13 1 0 0 0 0
3 12 1 1 0 0 0
13 35 1 0 0 0 0
35 34 1 0 0 0 0
34 31 1 0 0 0 0
31 30 1 0 0 0 0
30 26 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
25 26 1 0 0 0 0
25 24 1 0 0 0 0
24 23 1 0 0 0 0
23 22 1 0 0 0 0
22 29 1 6 0 0 0
25 29 1 6 0 0 0
24 28 1 1 0 0 0
23 27 1 1 0 0 0
22 14 1 0 0 0 0
14 15 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
15 20 2 0 0 0 0
17 21 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
S SKP 7
ID BMMCPYCTq003
NAME [(2R,3S,4R,5R) -5- (4-Amino-2-oxopyrimidin-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl [ [(2R,3S) -2,4-dihydroxy-3-methyl-3-phosphonooxybutoxy] -hydroxyphosphoryl] hydrogen phosphate
CAS_RN 263016-95-1
FORMULA C14H26N3O17P3
EXACTMASS 601.0475
AVERAGEMASS 601.2875
SMILES OC[C@](C)([C@H](O)COP(O)(=O)OP(O)(=O)OC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N(C=2)C(=O)N=C(N)C2)OP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11436
M END
