cobamide

Molecular Formula: C53H80CoN11O15P


InChI: InChI=1/C53H82N11O15P.Co/c1-24(78-80(75,76)79-44-32(23-65)77-48(74)43(44)73)22-60-40(72)16-17-50(6)30(18-37(57)69)47-53(9)52(8,21-39(59)71)29(12-15-36(56)68)42(64-53)26(3)46-51(7,20-38(58)70)27(10-13-34(54)66)31(61-46)19-33-49(4,5)28(11-14-35(55)67)41(62-33)25(2)45(50)63-47;/h19,24,27-30,32,43-44,47-48,65,73-74H,10-18,20-23H2,1-9H3,(H15,54,55,56,57,58,59,60,61,62,63,64,66,67,68,69,70,71,72,75,76);/q;+2/p-2/t24-,27-,28-,29-,30+,32-,43-,44-,47-,48+,50-,51+,52+,53+;/m1./s1/fC53H80N11O15P.Co/h60H,54-59H2;/q-2;m/b33-19-,45-25-,46-26-;

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

Names:
    CBA
    Cba
    CHEBI:3796
    Cobamide
    cobamide
    Cobamide
    cobamide
    14709-02-5

Registries:
    PubChem CID 6857420
    ChEBI 3796
    Kegg C00210
    PubChem ID 11533315
    PubChem ID 3510