CHEBI:58504 - adenosylcobyrate

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ChEBI Name adenosylcobyrate
ChEBI ID CHEBI:58504
Definition A cobalt corrinoid that is the conjugate base of adenosylcobyric acid, obtained by deprotonation of the carboxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
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Formula C55H76CoN15O11
Net Charge 0
Average Mass 1182.21900
Monoisotopic Mass 1181.51807
InChI InChI=1S/C45H66N10O8.C10H12N5O3.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(17-32(49)59)42(5,38(21)54-40)16-15-35(62)63;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H14,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1
InChIKey AXZSUSWNAXMBBB-NQYRMHKHSA-L
SMILES CC1=C2N3[C@H]([C@H](CC(N)=O)[C@@]2(C)CCC([O-])=O)[C@]2(C)[N+]4=C([C@@H](CCC(N)=O)[C@]2(C)CC(N)=O)C(C)=C2[N+]5=C(C=C6[N+](=C1[C@@H](CCC(N)=O)C6(C)C)[Co--]345C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing adenosylcobyrate (CHEBI:58504) is a cobalt corrinoid (CHEBI:33906)
adenosylcobyrate (CHEBI:58504) is conjugate base of adenosylcobyric acid (CHEBI:2483)
Incoming adenosylcobyric acid (CHEBI:2483) is conjugate acid of adenosylcobyrate (CHEBI:58504)
Synonym Source
adenosylcob(III)yrate UniProt
Last Modified
05 March 2014