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CHEBI:23339 - cobamic acid

Default Structure
ChEBI IDCHEBI:23339
ChEBI Namecobamic acid
Stars
Last Modified25 January 2006
DownloadsMolfile
FormulaC53H74CoN5O21P
Net Charge0
Average Mass1207.096
Monoisotopic Mass1206.39459
SMILES[H][C@@]12[C@H](CC(=O)O)[C@@](C)(CCC(=O)NC[C@@]([H])(C)OP(=O)([O-])O[C@H]3[C@@H](O)[C@@H](O)O[C@@H]3CO)C3=C(C)C4=[N]5C(=CC6=[N]7C(=C(C)C8=[N]([C@]1(C)[C@@](C)(CC(=O)O)[C@@H]8CCC(=O)O)[Co+]57[N]32)[C@@](C)(CC(=O)O)[C@@H]6CCC(=O)O)C(C)(C)[C@@H]4CCC(=O)O
InChIInChI=1S/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
InChIKeyZDTDRRBOAWVNMK-NHIUFCJESA-L
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
cobamic acid (CHEBI:23339) is a cobalt corrinoid (CHEBI:33906)
Synonym  Source
cobamic acidIUBMB