CHEBI:33907 - cob(III)yrinic acid

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ChEBI Name cob(III)yrinic acid
ChEBI ID CHEBI:33907
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23344, CHEBI:3800
Supplier Information
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Formula C45H59CoN4O14
Net Charge +2
Average Mass 938.90172
Monoisotopic Mass 938.33487
InChI InChI=1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+3/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKey SXATWJGWOIKDIW-OKJGWHJPSA-M
SMILES [H][C@]12[C@H](CC(O)=O)[C@@](C)(CCC(O)=O)\C(N1[Co++])=C(C)\C1=N\C(=C/C3=N/C(=C(C)\C4=N[C@]2(C)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)[C@@](C)(CC(O)=O)[C@@H]3CCC(O)=O)C(C)(C)[C@@H]1CCC(O)=O
Roles Classification
Biological Role(s): 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).
(via corrinoid )
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ChEBI Ontology
Outgoing cob(III)yrinic acid (CHEBI:33907) has functional parent hydrogenobyrinic acid (CHEBI:17926)
cob(III)yrinic acid (CHEBI:33907) is a cobalt-corrinoid heptacarboxylic acid (CHEBI:23389)
cob(III)yrinic acid (CHEBI:33907) is a cobyrinic acid (CHEBI:52500)
Incoming cobyric acid (CHEBI:23345) has functional parent cob(III)yrinic acid (CHEBI:33907)
IUPAC Name
3,3',3'',3'''-{[(1R,2S,3S,7S,8S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2−)}cobalt(III)
Synonyms Sources
Cob(II)yrinate KEGG COMPOUND
Cob(II)yrinic acid KEGG COMPOUND
Cobyrinate KEGG COMPOUND
Cobyrinic acid KEGG COMPOUND
cobyrinic acid CBN
Cobyrinsäure ChEBI
Manual Xref Database
C05773 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
33593-50-9 CAS Registry Number KEGG COMPOUND
33593-50-9 CAS Registry Number ChemIDplus
480742 Gmelin Registry Number Gmelin
Last Modified
28 July 2014