Mol:PR100835
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | ISISHOST03240423032D 1 1.00000 0.00000 1083 | + | ISISHOST03240423032D 1 1.00000 0.00000 1083 |
| − | + | ||
| − | 12 12 0 1 0 999 V2000 | + | 12 12 0 1 0 999 V2000 |
| − | 0.5069 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.5069 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.1690 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -0.1690 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.1828 0.2931 0.0000 N 0 0 3 0 0 0 0 0 0 | + | 1.1828 0.2931 0.0000 N 0 0 3 0 0 0 0 0 0 |
| − | 0.5069 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 0.5069 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.8414 -0.1000 0.0000 C 0 0 1 0 0 0 0 0 0 | + | -0.8414 -0.1000 0.0000 C 0 0 1 0 0 0 0 0 0 |
| − | 1.8586 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.8586 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.1828 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 | + | 1.1828 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | 1.8586 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 | + | 1.8586 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 |
| − | -1.5241 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 | + | -1.5241 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0 |
| − | -0.8414 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 | + | -0.8414 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0 |
| − | -1.5207 1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -1.5207 1.0759 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | -2.2000 -0.1034 0.0000 O 0 0 0 0 0 0 0 0 0 | + | -2.2000 -0.1034 0.0000 O 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 | + | 1 2 1 0 0 0 |
| − | 1 3 1 0 0 0 | + | 1 3 1 0 0 0 |
| − | 1 4 2 0 0 0 | + | 1 4 2 0 0 0 |
| − | 2 5 1 0 0 0 | + | 2 5 1 0 0 0 |
| − | 3 6 1 0 0 0 | + | 3 6 1 0 0 0 |
| − | 3 7 1 0 0 0 | + | 3 7 1 0 0 0 |
| − | 4 8 1 0 0 0 | + | 4 8 1 0 0 0 |
| − | 5 9 1 0 0 0 | + | 5 9 1 0 0 0 |
| − | 5 10 1 6 0 0 | + | 5 10 1 6 0 0 |
| − | 9 11 1 0 0 0 | + | 9 11 1 0 0 0 |
| − | 9 12 2 0 0 0 | + | 9 12 2 0 0 0 |
| − | 6 8 2 0 0 0 | + | 6 8 2 0 0 0 |
| − | S SKP | + | S SKP 7 |
| − | CAS_RN 368-16-1 | + | CAS_RN 368-16-1 |
| − | NAME 3-Methyl-L-histidine | + | NAME 3-Methyl-L-histidine |
| + | ID PR100835 | ||
| + | FORMULA C7H11N3O2 | ||
| + | EXACTMASS 169.085126611 | ||
| + | AVERAGEMASS 169.18125999999998 | ||
| + | SMILES OC(=O)[C@@H](N)Cc(c1)n(C)cn1 | ||
M END | M END | ||
Latest revision as of 10:32, 23 December 2009
ISISHOST03240423032D 1 1.00000 0.00000 1083
12 12 0 1 0 999 V2000
0.5069 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0
-0.1690 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0
1.1828 0.2931 0.0000 N 0 0 3 0 0 0 0 0 0
0.5069 -0.8793 0.0000 C 0 0 0 0 0 0 0 0 0
-0.8414 -0.1000 0.0000 C 0 0 1 0 0 0 0 0 0
1.8586 -0.1000 0.0000 C 0 0 0 0 0 0 0 0 0
1.1828 1.0759 0.0000 C 0 0 0 0 0 0 0 0 0
1.8586 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0
-1.5241 0.2931 0.0000 C 0 0 0 0 0 0 0 0 0
-0.8414 -0.8793 0.0000 N 0 0 0 0 0 0 0 0 0
-1.5207 1.0759 0.0000 O 0 0 0 0 0 0 0 0 0
-2.2000 -0.1034 0.0000 O 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0
1 3 1 0 0 0
1 4 2 0 0 0
2 5 1 0 0 0
3 6 1 0 0 0
3 7 1 0 0 0
4 8 1 0 0 0
5 9 1 0 0 0
5 10 1 6 0 0
9 11 1 0 0 0
9 12 2 0 0 0
6 8 2 0 0 0
S SKP 7
CAS_RN 368-16-1
NAME 3-Methyl-L-histidine
ID PR100835
FORMULA C7H11N3O2
EXACTMASS 169.085126611
AVERAGEMASS 169.18125999999998
SMILES OC(=O)[C@@H](N)Cc(c1)n(C)cn1
M END
