Mol:BMCCPPCB0005
From Metabolomics.JP
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
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19 1 1 0 0 0 0
S SKP 7
ID BMCCPPCB0005
NAME (2R,3R,4S,5R) -2- (6-Aminopurin-9-yl) -5-methanidyloxolane-3,4-diol; 3- [(1R,2S,3S,4Z,7S,8S,9Z,13S,14Z,17R,18R) -2,7-bis(2-amino-2-oxoethyl) -8,13,17-tris(2-carboxyethyl) -18- (carboxymethyl) -1,2,5,7,12,12,15,17-octamethyl-8,13,18,19-tetrahydro-3H-corrin-21-id-3-yl] propanoic acid; cobalt(3+)
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
