Mol:BMCCPPCB0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 82 92 0 0 1 0 0 0 0 0999 V2000 | + | 82 92 0 0 1 0 0 0 0 0999 V2000 |
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| − | 40 82 2 0 0 0 0 | + | 40 82 2 0 0 0 0 |
| − | 75 76 1 0 0 0 0 | + | 75 76 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 75 77 2 0 0 0 0 | + | 75 77 2 0 0 0 0 |
| − | 49 78 1 6 0 0 0 | + | 49 78 1 6 0 0 0 |
| − | 36 33 1 6 0 0 0 | + | 36 33 1 6 0 0 0 |
| − | 50 79 1 0 0 0 0 | + | 50 79 1 0 0 0 0 |
| − | 39 37 1 0 0 0 0 | + | 39 37 1 0 0 0 0 |
| − | 42 80 1 0 0 0 0 | + | 42 80 1 0 0 0 0 |
| − | 37 81 1 0 0 0 0 | + | 37 81 1 0 0 0 0 |
| − | 22 19 1 0 0 0 0 | + | 22 19 1 0 0 0 0 |
| − | 21 19 1 0 0 0 0 | + | 21 19 1 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 19 82 1 0 0 0 0 | + | 19 82 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPCB0005 | + | ID BMCCPPCB0005 |
| − | NAME Adenosyl cobyrinate diamide | + | NAME Adenosyl cobyrinate diamide |
| − | FORMULA C55H73CoN11O15 | + | FORMULA C55H73CoN11O15 |
| − | EXACTMASS 1186.4619 | + | EXACTMASS 1186.4619 |
| − | AVERAGEMASS 1187.1664 | + | AVERAGEMASS 1187.1664 |
| − | SMILES O[C@H]([C@H](O)1)[C@H](n(c%11%10)cnc%10c(ncn%11)N)O[C@@H]1C[Co+2](N7=8)(N5=6)(N34)N(C2=9)=C(C(=C3[C@@]([C@@H](CC(O)=O)C([C@]5(C)[C@]([C@@H](C(C(=C7[C@@](CC(N)=O)(C)[C@H](CCC(O)=O)C(C9)8)C)6)CCC(O)=O)(C)CC(N)=O)4)(C)CCC(O)=O)C)[C@H](C2(C)C)CCC(=O)O | + | SMILES O[C@H]([C@H](O)1)[C@H](n(c%11%10)cnc%10c(ncn%11)N)O[C@@H]1C[Co+2](N7=8)(N5=6)(N34)N(C2=9)=C(C(=C3[C@@]([C@@H](CC(O)=O)C([C@]5(C)[C@]([C@@H](C(C(=C7[C@@](CC(N)=O)(C)[C@H](CCC(O)=O)C(C9)8)C)6)CCC(O)=O)(C)CC(N)=O)4)(C)CCC(O)=O)C)[C@H](C2(C)C)CCC(=O)O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06506 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06506 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
82 92 0 0 1 0 0 0 0 0999 V2000
4.2125 -4.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0833 -5.0176 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.3236 -5.2669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7166 -5.4566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3698 -4.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0675 -6.0097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.6488 -4.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4484 -4.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7968 -6.2989 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2282 -4.1944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2481 -6.0097 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.9936 -5.2322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
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S SKP 7
ID BMCCPPCB0005
NAME Adenosyl cobyrinate diamide
FORMULA C55H73CoN11O15
EXACTMASS 1186.4619
AVERAGEMASS 1187.1664
SMILES O[C@H]([C@H](O)1)[C@H](n(c%11%10)cnc%10c(ncn%11)N)O[C@@H]1C[Co+2](N7=8)(N5=6)(N34)N(C2=9)=C(C(=C3[C@@]([C@@H](CC(O)=O)C([C@]5(C)[C@]([C@@H](C(C(=C7[C@@](CC(N)=O)(C)[C@H](CCC(O)=O)C(C9)8)C)6)CCC(O)=O)(C)CC(N)=O)4)(C)CCC(O)=O)C)[C@H](C2(C)C)CCC(=O)O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C06506
M END
