Mol:BMCCPPCB0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 86 96 0 0 1 0 0 0 0 0999 V2000 | + | 86 96 0 0 1 0 0 0 0 0999 V2000 |
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| − | 3.1172 4.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1172 4.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 5.8825 6.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.8825 6.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 8.7012 0.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7012 0.2148 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 7.1238 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1238 -1.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 6.5755 5.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5755 5.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5810 4.8979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5810 4.8979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9240 3.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9240 3.9709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 12.6499 1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.6499 1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 45 42 2 0 0 0 0 | + | 45 42 2 0 0 0 0 |
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| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 41 47 1 6 0 0 0 | + | 41 47 1 6 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 40 48 1 1 0 0 0 | + | 40 48 1 1 0 0 0 |
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| − | 65 66 1 0 0 0 0 | + | 65 66 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 65 85 2 0 0 0 0 | + | 65 85 2 0 0 0 0 |
| − | 44 67 1 1 0 0 0 | + | 44 67 1 1 0 0 0 |
| − | 31 28 1 0 0 0 0 | + | 31 28 1 0 0 0 0 |
| − | 45 68 1 0 0 0 0 | + | 45 68 1 0 0 0 0 |
| − | 34 32 1 0 0 0 0 | + | 34 32 1 0 0 0 0 |
| − | 37 69 1 0 0 0 0 | + | 37 69 1 0 0 0 0 |
| − | 32 70 1 0 0 0 0 | + | 32 70 1 0 0 0 0 |
| − | 18 78 1 0 0 0 0 | + | 18 78 1 0 0 0 0 |
| − | 17 78 1 0 0 0 0 | + | 17 78 1 0 0 0 0 |
| − | 16 78 1 0 0 0 0 | + | 16 78 1 0 0 0 0 |
| − | 78 71 1 0 0 0 0 | + | 78 71 1 0 0 0 0 |
| − | 78 1 1 0 0 0 0 | + | 78 1 1 0 0 0 0 |
| − | 58 72 1 0 0 0 0 | + | 58 72 1 0 0 0 0 |
| − | 7 12 1 0 0 0 0 | + | 7 12 1 0 0 0 0 |
| − | 72 73 1 0 0 0 0 | + | 72 73 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 73 86 1 0 0 0 0 | + | 73 86 1 0 0 0 0 |
| − | 10 76 1 1 0 0 0 | + | 10 76 1 1 0 0 0 |
| − | 73 74 1 4 0 0 0 | + | 73 74 1 4 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPCB0003 | + | ID BMCCPPCB0003 |
| − | NAME Adenosyl cobinamide | + | NAME Adenosyl cobinamide |
| − | FORMULA C58H84CoN16O11 | + | FORMULA C58H84CoN16O11 |
| − | EXACTMASS 1239.5837 | + | EXACTMASS 1239.5837 |
| − | AVERAGEMASS 1240.3219 | + | AVERAGEMASS 1240.3219 |
| − | SMILES c(N)(n%11)c(c(nc%11)1)ncn1[C@H](O2)[C@@H]([C@@H]([C@H]2C[Co+1](N7=6)(N54)(N9=8)N(=C3%10)[C@](C([C@@H]([C@](C5=C(C)C([C@@H](CCC(N)=O)C(C7=CC8[C@H]([C@](C)(C9=C(C)%10)CC(N)=O)CCC(N)=O)(C)C)6)(C)CCC(=O)NCC(O)C)CC(N)=O)4)([C@]([C@H](CCC(N)=O)3)(C)CC(N)=O)C)O)O | + | SMILES c(N)(n%11)c(c(nc%11)1)ncn1[C@H](O2)[C@@H]([C@@H]([C@H]2C[Co+1](N7=6)(N54)(N9=8)N(=C3%10)[C@](C([C@@H]([C@](C5=C(C)C([C@@H](CCC(N)=O)C(C7=CC8[C@H]([C@](C)(C9=C(C)%10)CC(N)=O)CCC(N)=O)(C)C)6)(C)CCC(=O)NCC(O)C)CC(N)=O)4)([C@]([C@H](CCC(N)=O)3)(C)CC(N)=O)C)O)O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06508 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06508 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
86 96 0 0 1 0 0 0 0 0999 V2000
6.4508 2.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0954 4.6165 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5021 3.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.5954 5.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1172 4.8245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0022 2.8370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
3.9262 6.2257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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S SKP 7
ID BMCCPPCB0003
NAME Adenosyl cobinamide
FORMULA C58H84CoN16O11
EXACTMASS 1239.5837
AVERAGEMASS 1240.3219
SMILES c(N)(n%11)c(c(nc%11)1)ncn1[C@H](O2)[C@@H]([C@@H]([C@H]2C[Co+1](N7=6)(N54)(N9=8)N(=C3%10)[C@](C([C@@H]([C@](C5=C(C)C([C@@H](CCC(N)=O)C(C7=CC8[C@H]([C@](C)(C9=C(C)%10)CC(N)=O)CCC(N)=O)(C)C)6)(C)CCC(=O)NCC(O)C)CC(N)=O)4)([C@]([C@H](CCC(N)=O)3)(C)CC(N)=O)C)O)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06508
M END
