Cobamide
Molecular Formula:
C54H83CoN11O14P+2
InChI: InChI=1/C54H84N11O14P.Co/c1-11-33-45(44(73)49(74)77-33)79-80(75,76)78-25(2)24-61-41(72)18-19-51(7)31(20-38(58)69)48-54(10)53(9,23-40(60)71)30(14-17-37(57)68)43(65-54)27(4)47-52(8,22-39(59)70)28(12-15-35(55)66)32(62-47)21-34-50(5,6)29(13-16-36(56)67)42(63-34)26(3)46(51)64-48;/h21,25,28-31,33,44-45,48-49,73-74H,11-20,22-24H2,1-10H3,(H15,55,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,75,76);/q;+3/p-1/t25u,28-,29-,30-,31+,33+,44?,45?,48?,49+,51-,52+,53+,54+;/m1./s1/fC54H83N11O14P.Co/h61,75H,55-60H2;/q-1;m/b34-21-,46-26-,47-27-;
InChIKey: InChIKey=BRLRCLSACPSITA-MGXXRDPCDM
SMILES: CCC1C(C(C(O1)O)O)OP(=O)(O)OC(C)CNC(=O)CCC2(C(C3C4(C(C(C(=N4)C(=C5C(C(C(=N5)C=C6C(C(C(=N6)C(=C2[N-]3)C)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.[Co+3]
Names:
Cobamide
C00210
14709-02-5
Registries:
PubChem CID 5462220
PubChem ID 3510
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