Mol:BMMCPYTY0007
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 0 0 0 0 0 0999 V2000 | + | 22 23 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.7321 0.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 0.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.3666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.3666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.8666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.8666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -1.3666 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -1.3666 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2437 -1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2437 -1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9128 -1.0301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9128 -1.0301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.4128 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.4128 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4347 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4347 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.8195 0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.8195 0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8141 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8141 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6915 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6915 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2208 1.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2208 1.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2153 1.8720 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2153 1.8720 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.3198 0.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.3198 0.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2098 1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2098 1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1108 2.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1108 2.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 6 2 0 0 0 0 | + | 1 6 2 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 5 9 1 0 0 0 0 | + | 5 9 1 0 0 0 0 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 10 1 0 0 0 0 | + | 14 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 18 1 0 0 0 0 | + | 16 18 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 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYTY0007 | + | ID BMMCPYTY0007 |
| − | NAME TMP | + | NAME TMP |
| − | FORMULA C12H18N4O4PS | + | FORMULA C12H18N4O4PS |
| − | EXACTMASS 345.0786 | + | EXACTMASS 345.0786 |
| − | AVERAGEMASS 345.3356 | + | AVERAGEMASS 345.3356 |
| − | SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(O)=O)s1 | + | SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(O)=O)s1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01081 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01081 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
3.7321 0.1334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.3666 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
7.2437 -1.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 -1.0301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.4128 -0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4347 -0.3720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8195 0.7494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8141 0.8540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6915 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2208 1.7675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2153 1.8720 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
10.3198 0.8775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.2098 1.9766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.1108 2.8666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 6 2 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
2 7 1 0 0 0 0
5 9 1 0 0 0 0
4 8 1 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
9 10 1 0 0 0 0
14 17 1 0 0 0 0
13 15 1 0 0 0 0
15 16 1 0 0 0 0
16 18 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
S SKP 7
ID BMMCPYTY0007
NAME TMP
FORMULA C12H18N4O4PS
EXACTMASS 345.0786
AVERAGEMASS 345.3356
SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(O)=O)s1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01081
M END
