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CHEBI:3796 - cobamide

ChEBI IDCHEBI:3796
ChEBI Namecobamide
Stars
DefinitionA cobalt-corrinoid hexaamide that is the parent compound of the class of cobamides.
Last Modified3 August 2014
DownloadsMolfile
FormulaC53H81CoN11O15P
Net Charge0
Average Mass1202.200
Monoisotopic Mass1201.49832
SMILES[H][C@@]12[C@H](CC(N)=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(N)=O)[C@@H]8CCC(N)=O)[Co]57[N]32)[C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)[C@@H]4CCC(N)=O
InChIInChI=1S/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;+1/p-1/t24-,27-,28-,29-,30+,32-,43-,44-,47-,48+,50-,51+,52+,53+;/m1./s1
InChIKeyJGGVXHCRGKXCRB-NHIUFCJESA-M
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)
cobamide (CHEBI:3796) is a cobamides (CHEBI:23341)
Synonyms  Source
CobamideKEGG COMPOUND
cobamideIUBMB
CbaIUBMB
Manual XrefsDatabases
C00210KEGG COMPOUND
Registry NumbersSources
CAS:14709-02-5KEGG COMPOUND
CAS:14709-02-5ChemIDplus