adenosylcobinamide-GDP
Molecular Formula:
C68H97CoN21O21P2
InChI: InChI=1/C58H86N16O18P2.C10H12N5O3.Co/c1-25(91-94(87,88)92-93(85,86)89-23-33-45(82)46(83)52(90-33)74-24-67-44-50(74)71-53(65)72-51(44)84)22-66-41(81)16-17-55(6)31(18-38(62)78)49-58(9)57(8,21-40(64)80)30(12-15-37(61)77)43(73-58)27(3)48-56(7,20-39(63)79)28(10-13-35(59)75)32(68-48)19-34-54(4,5)29(11-14-36(60)76)42(69-34)26(2)47(55)70-49;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h19,24-25,28-31,33,45-46,49,52,82-83H,10-18,20-23H2,1-9H3,(H19,59,60,61,62,63,64,65,66,68,69,70,71,72,73,75,76,77,78,79,80,81,84,85,86,87,88);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;-1;+2/p-1/t25u,28-,29-,30-,31+,33-,45-,46-,49?,52-,55-,56+,57+,58+;4-,6-,7-,10-;/m11./s1/fC58H85N16O18P2.C10H12N5O3.Co/h66,71,85,87H,59-65H2;11H2;/q-1;2m/b34-19-,47-26-,48-27-;;
InChIKey: InChIKey=GKHKUGJTQNPAAX-FXHXLKPIDK
SMILES: CC1=C2C(C(C([N-]2)C3(C(C(C(=N3)C(=C4C(C(C(=N4)C=C5C(C(C1=N5)CCC(=O)N)(C)C)CCC(=O)N)(C)CC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCC(C)OP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)N7C=NC8=C7NC(=NC8=O)N)O)O.[CH2-]C1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O.[Co+2]
Names:
Adenosine-GDP-cobinamide
adenosylcobinamide-GDP
C06510
Registries:
PubChem CID 5462326
PubChem ID 8741
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