Mol:BMMCPYCTq002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 23 0 0 1 0 0 0 0 0999 V2000 | + | 22 23 0 0 1 0 0 0 0 0999 V2000 |
| − | 5.4432 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4432 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3092 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3092 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1753 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1753 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1753 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1753 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3092 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3092 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4432 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4432 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3092 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3092 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0413 -2.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0413 -2.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3092 -3.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3092 -3.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4432 -4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4432 -4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5772 -0.6260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5772 -0.6260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.6637 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6637 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9945 -0.2896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.9945 -0.2896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.4945 0.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 3.4945 0.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 3.0878 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0878 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4727 0.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4727 0.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6756 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6756 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2688 3.2125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2688 3.2125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3553 2.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3553 2.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8621 4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8621 4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1824 3.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1824 3.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 11 17 1 1 0 0 0 | + | 11 17 1 1 0 0 0 |
| − | 14 17 1 1 0 0 0 | + | 14 17 1 1 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 11 1 1 0 0 0 0 | + | 11 1 1 0 0 0 0 |
| − | 13 16 1 6 0 0 0 | + | 13 16 1 6 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 5 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 2 7 2 0 0 0 0 | + | 2 7 2 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYCTq002 | + | ID BMMCPYCTq002 |
| − | NAME 2'-Deoxy-5-hydroxy-methylcytidine 5'-phosphate | + | NAME 2'-Deoxy-5-hydroxy-methylcytidine 5'-phosphate |
| − | FORMULA C10H16N3O8P | + | FORMULA C10H16N3O8P |
| − | EXACTMASS 337.0675 | + | EXACTMASS 337.0675 |
| − | AVERAGEMASS 337.2232 | + | AVERAGEMASS 337.2232 |
| − | SMILES OCC(=C1)C(N)=NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2 | + | SMILES OCC(=C1)C(N)=NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03997 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03997 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 1 0 0 0 0 0999 V2000
5.4432 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -0.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -1.1260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1753 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -2.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 0.3740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0413 -2.6260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3092 -3.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4432 -4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5772 -0.6260 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.6637 -1.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9945 -0.2896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.4945 0.5764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.0878 1.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4727 0.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6756 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2688 3.2125 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3553 2.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8621 4.1260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1824 3.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11 12 1 0 0 0 0
11 17 1 1 0 0 0
14 17 1 1 0 0 0
14 13 1 0 0 0 0
13 12 1 0 0 0 0
14 15 1 0 0 0 0
11 1 1 0 0 0 0
13 16 1 6 0 0 0
15 18 1 0 0 0 0
3 4 2 0 0 0 0
3 2 1 0 0 0 0
2 1 1 0 0 0 0
1 6 1 0 0 0 0
6 5 2 0 0 0 0
5 4 1 0 0 0 0
2 7 2 0 0 0 0
4 8 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
19 22 1 0 0 0 0
19 21 2 0 0 0 0
5 9 1 0 0 0 0
9 10 1 0 0 0 0
S SKP 7
ID BMMCPYCTq002
NAME 2'-Deoxy-5-hydroxy-methylcytidine 5'-phosphate
FORMULA C10H16N3O8P
EXACTMASS 337.0675
AVERAGEMASS 337.2232
SMILES OCC(=C1)C(N)=NC(=O)N1[C@@H](C2)O[C@H](COP(O)(O)=O)[C@@H](O)2
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03997
M END
