Cobamamide

More details:

• Systematic name

• SMILES

  Cc1cc2c(cc1C)[n+]3cn2[C@@H]4[C@@H]([C@@H]([C@H](O4)CO)OP(=O)(O[C@@H](CNC(=O)CC[C@@]5([C@H]([C@@H]6[C@]7([C@@]([C@@H](C8=[N+]7[Co-3]391(N6C5=C(C2=[N+]9C(=CC3=[N+]1C(=C8C)[C@@]([C@@H]3CCC(=O)N)(C)CC(=O)N)C([C@@H]2CCC(=O)N)(C)C)C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n1cnc2c1ncnc2N)O)O)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)C)[O-])O

• Std. InChi

  InChI=1S/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;4-,6-,7-,10-;/m11./s1

• Std. InChIKey

  ZIHHMGTYZOSFRC-OUCXYWSSSA-L

• Cite this record

  CSID:29367945, http://www.chemspider.com/Chemical-Structure.29367945.html (accessed 20:11, Apr 16, 2024)