Mol:BMAXS3SFe001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 24 0 0 1 0 0 0 0 0999 V2000 | + | 25 24 0 0 1 0 0 0 0 0999 V2000 |
| − | 8.9282 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 3.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 5.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 5.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -1.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 5.4641 -1.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0981 -1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0981 -1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.0981 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.0981 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.7942 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.7942 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9282 5.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9282 5.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -4.3170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -4.3170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3660 -3.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3660 -3.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3660 -5.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3660 -5.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2 4 1 1 0 0 0 | + | 2 4 1 1 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 1 17 2 0 0 0 0 | + | 1 17 2 0 0 0 0 |
| − | 3 5 1 0 0 0 0 | + | 3 5 1 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 1 16 1 0 0 0 0 | + | 1 16 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 15 12 1 0 0 0 0 | + | 15 12 1 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 11 20 1 6 0 0 0 | + | 11 20 1 6 0 0 0 |
| − | 10 19 2 0 0 0 0 | + | 10 19 2 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
| − | 6 4 1 0 0 0 0 | + | 6 4 1 0 0 0 0 |
| − | 6 18 2 0 0 0 0 | + | 6 18 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 12 14 1 0 0 0 0 | + | 12 14 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS3SFe001 | + | ID BMAXS3SFe001 |
| − | NAME (R)-4'-Phospho-pantothenoyl-L-cysteine | + | NAME (R)-4'-Phospho-pantothenoyl-L-cysteine |
| − | FORMULA C12H23N2O9PS | + | FORMULA C12H23N2O9PS |
| − | EXACTMASS 402.0861 | + | EXACTMASS 402.0861 |
| − | AVERAGEMASS 402.3588 | + | AVERAGEMASS 402.3588 |
| − | SMILES SC[C@@H](C(O)=O)NC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O | + | SMILES SC[C@@H](C(O)=O)NC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04352 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04352 |
M END | M END | ||
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Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 24 0 0 1 0 0 0 0 0999 V2000
8.9282 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.6830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.1962 4.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 2.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.1830 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.8170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5981 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0981 -1.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0981 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 5.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -2.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3170 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
2.3660 -3.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3660 -5.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 1 0 0 0
2 1 1 0 0 0 0
1 17 2 0 0 0 0
3 5 1 0 0 0 0
2 3 1 0 0 0 0
1 16 1 0 0 0 0
21 15 1 0 0 0 0
15 12 1 0 0 0 0
12 11 1 0 0 0 0
11 10 1 0 0 0 0
11 20 1 6 0 0 0
10 19 2 0 0 0 0
10 9 1 0 0 0 0
9 8 1 0 0 0 0
8 7 1 0 0 0 0
6 4 1 0 0 0 0
6 18 2 0 0 0 0
7 6 1 0 0 0 0
12 13 1 0 0 0 0
12 14 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 25 1 0 0 0 0
22 24 2 0 0 0 0
S SKP 7
ID BMAXS3SFe001
NAME (R)-4'-Phospho-pantothenoyl-L-cysteine
FORMULA C12H23N2O9PS
EXACTMASS 402.0861
AVERAGEMASS 402.3588
SMILES SC[C@@H](C(O)=O)NC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04352
M END
