Mol:BMMCPYCTq006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 34 0 0 1 0 0 0 0 0999 V2000
2.9945 4.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 4.1784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.1701 3.3694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.1646 3.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3913 4.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 4.8829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7733 3.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7634 2.4558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7524 2.6649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -1.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.1333 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1333 -3.4874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -3.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8653 -3.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8653 -2.4874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2673 -1.9874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -4.9874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.9993 -0.9874 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.8083 -0.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
11.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
10.4993 0.5514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.9115 1.3604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8083 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.0871 1.3604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1903 -0.3996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9170 1.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.3292 2.0649 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.5202 1.4771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1382 2.6527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7414 2.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7469 2.7694 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
6.8514 1.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6424 3.7639 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 9 1 0 0 0 0
3 8 1 1 0 0 0
9 31 1 0 0 0 0
31 30 1 0 0 0 0
30 27 1 0 0 0 0
27 26 1 0 0 0 0
26 22 1 0 0 0 0
31 32 2 0 0 0 0
31 33 1 0 0 0 0
27 28 2 0 0 0 0
27 29 1 0 0 0 0
21 22 1 0 0 0 0
21 20 1 0 0 0 0
20 19 1 0 0 0 0
19 18 1 0 0 0 0
18 25 1 6 0 0 0
21 25 1 6 0 0 0
20 24 1 1 0 0 0
19 23 1 1 0 0 0
18 10 1 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
11 16 2 0 0 0 0
13 17 1 0 0 0 0
S SKP 7
ID BMMCPYCTq006
NAME [(2R,3S,4R,5R) -5- (4-Amino-2-oxopyrimidin-1-yl) -3,4-dihydroxyoxolan-2-yl] methyl [hydroxy- [(2R,3S) -2,3,4-trihydroxy-3-methylbutoxy] pho
CAS_RN 263016-94-0
FORMULA C14H25N3O14P2
EXACTMASS 521.0811
AVERAGEMASS 521.3076
SMILES OC[C@@](C)(O)[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
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C11435
M END
