Mol:BMMCBZ1Sa018
From Metabolomics.JP
(Difference between revisions)
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| − | 35 37 2 0 0 0 0 | + | 35 37 2 0 0 0 0 |
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| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 1 15 2 0 0 0 0 | + | 1 15 2 0 0 0 0 |
| − | 2 3 1 4 0 0 0 | + | 2 3 1 4 0 0 0 |
| − | 2 5 1 0 0 0 0 | + | 2 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
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| − | 4 13 1 0 0 0 0 | + | 4 13 1 0 0 0 0 |
| − | 4 12 2 0 0 0 0 | + | 4 12 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMMCBZ1Sa018 | + | ID BMMCBZ1Sa018 |
| − | NAME Benzoyl-succinyl-CoA | + | NAME Benzoyl-succinyl-CoA |
| − | FORMULA C32H44N7O20P3S | + | FORMULA C32H44N7O20P3S |
| − | EXACTMASS 971.1574 | + | EXACTMASS 971.1574 |
| − | AVERAGEMASS 971.7142 | + | AVERAGEMASS 971.7142 |
| − | SMILES C(OP(OP(O)(=O)OC[C@@H](O2)[C@@H](OP(O)(O)=O)[C@H]([C@@H]2n(c34)cnc3c(ncn4)N)O)(O)=O)C(C)(C)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(c(c1)cccc1)=O)O | + | SMILES C(OP(OP(O)(=O)OC[C@@H](O2)[C@@H](OP(O)(O)=O)[C@H]([C@@H]2n(c34)cnc3c(ncn4)N)O)(O)=O)C(C)(C)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(c(c1)cccc1)=O)O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C09820 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C09820 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
63 66 0 0 1 0 0 0 0 0999 V2000
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23.8624 -1.5988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 7
ID BMMCBZ1Sa018
NAME Benzoyl-succinyl-CoA
FORMULA C32H44N7O20P3S
EXACTMASS 971.1574
AVERAGEMASS 971.7142
SMILES C(OP(OP(O)(=O)OC[C@@H](O2)[C@@H](OP(O)(O)=O)[C@H]([C@@H]2n(c34)cnc3c(ncn4)N)O)(O)=O)C(C)(C)[C@H](C(=O)NCCC(=O)NCCSC(=O)C(CC(O)=O)C(c(c1)cccc1)=O)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C09820
M END
