Mol:BMMCPYTY0008
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.8660 4.6713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 4.6713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 4.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 4.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 6.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 6.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9641 1.6325 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9641 1.6325 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6551 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6551 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 3.1713 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 3.1713 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2731 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2731 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9641 1.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9641 1.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2242 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2242 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5519 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5519 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.1452 -0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1452 -0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.7329 -0.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7329 -0.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3262 -1.8126 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3262 -1.8126 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2397 -2.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2397 -2.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4127 -1.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4127 -1.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9195 -2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9195 -2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5072 -3.5352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5072 -3.5352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3163 -2.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3163 -2.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.6982 -4.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.6982 -4.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0950 -4.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0950 -4.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6883 -5.2578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6883 -5.2578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6018 -5.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6018 -5.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7748 -4.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7748 -4.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2816 -6.1713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2816 -6.1713 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 |
| − | 10 14 1 0 0 0 0 | + | 10 14 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 13 15 1 0 0 0 0 | + | 13 15 1 0 0 0 0 |
| − | 14 16 1 0 0 0 0 | + | 14 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 30 2 0 0 0 0 | + | 27 30 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCPYTY0008 | + | ID BMMCPYTY0008 |
| − | NAME TTP | + | NAME TTP |
| − | FORMULA C12H20N4O10P3S | + | FORMULA C12H20N4O10P3S |
| − | EXACTMASS 505.0112 | + | EXACTMASS 505.0112 |
| − | AVERAGEMASS 505.2954 | + | AVERAGEMASS 505.2954 |
| − | SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)s1 | + | SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)s1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03028 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03028 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 31 0 0 0 0 0 0 0 0999 V2000
2.8660 4.6713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 5.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 4.6713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 6.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 6.1713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 1.6325 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.1713 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
6.2731 2.5835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 1.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2242 2.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5519 0.8235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1452 -0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7329 -0.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3262 -1.8126 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.2397 -2.2194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4127 -1.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9195 -2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5072 -3.5352 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.3163 -2.9474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.6982 -4.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0950 -4.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6883 -5.2578 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.6018 -5.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7748 -4.8510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2816 -6.1713 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
10 14 1 0 0 0 0
14 13 2 0 0 0 0
13 12 1 0 0 0 0
12 11 2 0 0 0 0
11 10 1 0 0 0 0
9 12 1 0 0 0 0
13 15 1 0 0 0 0
14 16 1 0 0 0 0
16 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 22 1 0 0 0 0
19 21 1 0 0 0 0
19 20 2 0 0 0 0
22 23 1 0 0 0 0
23 26 1 0 0 0 0
23 25 1 0 0 0 0
23 24 2 0 0 0 0
26 27 1 0 0 0 0
27 29 1 0 0 0 0
27 28 1 0 0 0 0
27 30 2 0 0 0 0
S SKP 7
ID BMMCPYTY0008
NAME TTP
FORMULA C12H20N4O10P3S
EXACTMASS 505.0112
AVERAGEMASS 505.2954
SMILES Cc(n2)nc(N)c(c2)C[n+1](c1)c(C)c(CCOP(O)(=O)OP(O)(=O)OP(O)(O)=O)s1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03028
M END
