5-Hydroxybenzimidazolylcobamide
Molecular Formula:
C59H86CoN13O15P-6
InChI: InChI=1/C59H87N13O15P.Co/c1-27(86-88(83,84)87-52-39(25-73)85-55(51(52)82)72-26-67-35-12-9-30(74)17-38(35)72)24-66-48(81)15-16-57(6)33(18-44(62)77)37-21-41-58(7,22-46(64)79)32(11-14-43(61)76)50(71-41)29(3)54-59(8,23-47(65)80)34(19-45(63)78)36(69-54)20-40-56(4,5)31(10-13-42(60)75)49(70-40)28(2)53(57)68-37;/h9,12,17,20,27,31-34,37,39-41,51-55,73-74,82H,10-11,13-16,18-19,21-26H2,1-8H3,(H2,60,75)(H2,61,76)(H2,62,77)(H2,63,78)(H2,64,79)(H2,65,80)(H,66,81)(H,83,84);/q-5;/p-1/b36-20-,49-28-,50-29-;/t27u,31u,32u,33u,34u,37?,39-,40?,41?,51-,52-,53?,54?,55+,57u,58u,59u;/m1./s1/fC59H86N13O15P.Co/h66H,60-65H2;/q-6;
InChIKey: InChIKey=LJANHCXWURIABY-IIUZGTOEDV
SMILES: CC1=C2C(C(C([N-]2)C=C3C(C(C([N-]3)C(=C4C(C(C([N-]4)CC5C(C(C1[N-]5)(C)CCC(=O)NCC(C)OP(=O)([O-])OC6C(OC(C6O)N7C[N-]C8=C7C=C(C=C8)O)CO)CC(=O)N)(C)CC(=O)N)CCC(=O)N)C)(C)CC(=O)N)CC(=O)N)(C)C)CCC(=O)N.[Co]
Names:
C04054
5-Hydroxybenzimidazolylcobamide
Registries:
PubChem CID 5462257
PubChem ID 6755
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