Mol:BMAXS3AKe003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 18 0 0 1 0 0 0 0 0999 V2000 | + | 19 18 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.8660 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5981 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5981 0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 4.5981 0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.9641 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.9641 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4641 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4641 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7321 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7321 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.3301 2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3301 2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1962 3.0670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1962 3.0670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.6962 2.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.6962 2.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0622 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0622 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.6962 3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.6962 3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 10 7 1 0 0 0 0 | + | 10 7 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 6 14 1 6 0 0 0 | + | 6 14 1 6 0 0 0 |
| − | 5 13 2 0 0 0 0 | + | 5 13 2 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 12 1 0 0 0 0 |
| − | 1 11 2 0 0 0 0 | + | 1 11 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 16 19 1 0 0 0 0 | + | 16 19 1 0 0 0 0 |
| − | 16 18 2 0 0 0 0 | + | 16 18 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMAXS3AKe003 | + | ID BMAXS3AKe003 |
| − | NAME D-4'-Phospho-pantothenic acid | + | NAME D-4'-Phospho-pantothenic acid |
| − | FORMULA C9H18NO8P | + | FORMULA C9H18NO8P |
| − | EXACTMASS 299.077 | + | EXACTMASS 299.077 |
| − | AVERAGEMASS 299.2149 | + | AVERAGEMASS 299.2149 |
| − | SMILES OC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O | + | SMILES OC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03492 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03492 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 18 0 0 1 0 0 0 0 0999 V2000
2.8660 -3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -0.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.5670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4641 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 -3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7321 1.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 2.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 3.0670 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
7.6962 2.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.6962 3.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15 10 1 0 0 0 0
10 7 1 0 0 0 0
7 6 1 0 0 0 0
6 5 1 0 0 0 0
6 14 1 6 0 0 0
5 13 2 0 0 0 0
5 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 1 0 0 0 0
1 12 1 0 0 0 0
1 11 2 0 0 0 0
2 1 1 0 0 0 0
7 9 1 0 0 0 0
7 8 1 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
16 19 1 0 0 0 0
16 18 2 0 0 0 0
S SKP 7
ID BMAXS3AKe003
NAME D-4'-Phospho-pantothenic acid
FORMULA C9H18NO8P
EXACTMASS 299.077
AVERAGEMASS 299.2149
SMILES OC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03492
M END
