Mol:BMCCPPPY0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 16 16 0 0 0 0 0 0 0 0999 V2000 | + | 16 16 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.2321 1.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2321 1.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9230 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9230 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5411 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5411 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2321 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2321 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4921 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4921 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2353 0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2353 0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.8198 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.8198 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4131 3.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4131 3.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1863 0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1863 0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.0274 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.0274 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 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 |
| − | 3 6 1 0 0 0 0 | + | 3 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 8 13 1 0 0 0 0 | + | 8 13 1 0 0 0 0 |
| − | 8 14 2 0 0 0 0 | + | 8 14 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 4 9 1 0 0 0 0 | + | 4 9 1 0 0 0 0 |
| − | 10 15 1 0 0 0 0 | + | 10 15 1 0 0 0 0 |
| − | 10 16 2 0 0 0 0 | + | 10 16 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 5 11 1 0 0 0 0 | + | 5 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPPY0004 | + | ID BMCCPPPY0004 |
| − | NAME Porphobilinogen | + | NAME Porphobilinogen |
| − | FORMULA C10H14N2O4 | + | FORMULA C10H14N2O4 |
| − | EXACTMASS 226.0953 | + | EXACTMASS 226.0953 |
| − | AVERAGEMASS 226.2292 | + | AVERAGEMASS 226.2292 |
| − | SMILES NCc(n1)c(CC(O)=O)c(CCC(O)=O)c1 | + | SMILES NCc(n1)c(CC(O)=O)c(CCC(O)=O)c1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00931 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00931 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
16 16 0 0 0 0 0 0 0 0999 V2000
3.2321 1.4081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2321 1.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2353 0.8172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 2.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4131 3.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1863 0.5082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0274 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
5 1 1 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
3 6 1 0 0 0 0
6 7 1 0 0 0 0
8 13 1 0 0 0 0
8 14 2 0 0 0 0
7 8 1 0 0 0 0
4 9 1 0 0 0 0
10 15 1 0 0 0 0
10 16 2 0 0 0 0
9 10 1 0 0 0 0
5 11 1 0 0 0 0
11 12 1 0 0 0 0
S SKP 7
ID BMCCPPPY0004
NAME Porphobilinogen
FORMULA C10H14N2O4
EXACTMASS 226.0953
AVERAGEMASS 226.2292
SMILES NCc(n1)c(CC(O)=O)c(CCC(O)=O)c1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00931
M END
