cobamic acid

Molecular Formula: C53H74CoN5O21P


InChI: InChI=1/C53H76N5O21P.Co/c1-24(78-80(75,76)79-44-32(23-59)77-48(74)43(44)73)22-54-34(60)16-17-50(6)30(18-38(67)68)47-53(9)52(8,21-40(71)72)29(12-15-37(65)66)42(58-53)26(3)46-51(7,20-39(69)70)27(10-13-35(61)62)31(55-46)19-33-49(4,5)28(11-14-36(63)64)41(56-33)25(2)45(50)57-47;/h19,24,27-30,32,43-44,47-48,59,73-74H,10-18,20-23H2,1-9H3,(H9,54,55,56,57,58,60,61,62,63,64,65,66,67,68,69,70,71,72,75,76);/q;+2/p-2/t24-,27-,28-,29-,30+,32-,43-,44-,47-,48+,50-,51+,52+,53+;/m1./s1/fC53H74N5O21P.Co/h54,61,63,65,67,69,71H;/q-2;m/b33-19-,45-25-,46-26-;

InChIKey: InChIKey=ZDTDRRBOAWVNMK-VEQSBKGRDS
SMILES: [H][[email protected]@](C)(CNC(=O)CC[[email protected]]1(C)[[email protected]@H](CC(O)=O)[[email protected]@]2([H])N3C1=C(C)C4=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([[email protected]]2(C)[[email protected]@](C)(CC(O)=O)[[email protected]@H]8CCC(O)=O)[Co+]357)[[email protected]@](C)(CC(O)=O)[[email protected]@H]6CCC(O)=O)C(C)(C)[[email protected]@H]4CCC(O)=O)OP([O-])(=O)O[[email protected]]9[[email protected]@H](O)[[email protected]@H](O)O[[email protected]@H]9CO

Names:
    CHEBI:23339
    cobamic acid

Registries:
    PubChem CID 6857445
    ChEBI 23339
    PubChem ID 11533440