coenzyme B-12
Molecular Formula:
C73H102CoN17O17P
InChI: InChI=1/C63H91N12O14P.C10H12N5O3.Co/c1-30-21-41-42(22-31(30)2)75(29-70-41)58-53(84)54(43(28-76)87-58)89-90(85,86)88-33(4)27-69-50(83)19-20-60(9)39(23-47(66)80)57-63(12)62(11,26-49(68)82)38(16-18-46(65)79)52(74-63)35(6)56-61(10,25-48(67)81)36(15-17-45(64)78)40(71-56)24-44-59(7,8)37(14-13-32(3)77)51(72-44)34(5)55(60)73-57;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h21-22,24,29,33,36-39,43,53-54,57-58,76,84H,13-20,23,25-28H2,1-12H3,(H13,64,65,66,67,68,69,71,72,73,74,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+2/p-1/t33u,36u,37u,38u,39u,43-,53-,54-,57?,58?,60u,61u,62u,63u;4-,6-,7-,10?;/m11./s1/fC63H90N12O14P.C10H12N5O3.Co/h69,85H,64-68H2;11H2;/q-1;2m/b44-24-,55-34-,56-35-;;
InChIKey: InChIKey=OEJJPVRLPRYHMH-IYPJVTONDP
SMILES: CC1=CC2=C(C=C1C)N(C=N2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C(=N6)C(=C7C(C(C(=N7)C=C8C(C(C(=N8)C(=C4[N-]5)C)CCC(=O)C)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+2]
Names:
coenzyme B-12
Registries:
PubChem CID 5702154
PubChem ID 8149674
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