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CHEBI:58504 - adenosylcobyrate

ChEBI IDCHEBI:58504
ChEBI Nameadenosylcobyrate
Stars
DefinitionA cobalt corrinoid that is the conjugate base of adenosylcobyric acid, obtained by deprotonation of the carboxy group.
Last Modified5 March 2014
DownloadsMolfile
FormulaC55H76CoN15O11
Net Charge0
Average Mass1182.240
Monoisotopic Mass1181.51807
SMILESCC1=C2[N]3[C@H]([C@H](CC(N)=O)[C@@]2(C)CCC(=O)[O-])[C@]2(C)[N+]4=C(C(C)=C5[N+]6=C(C=C7[N+](=C1[C@@H](CCC(N)=O)C7(C)C)[Co-2]364[CH2][C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)[C@@H](CCC(N)=O)[C@]5(C)CC(N)=O)[C@@H](CCC(N)=O)[C@]2(C)CC(N)=O
InChIInChI=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
InChIKeyAXZSUSWNAXMBBB-NQYRMHKHSA-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)
adenosylcobyrate (CHEBI:58504) is a cobalt corrinoid (CHEBI:33906)
adenosylcobyrate (CHEBI:58504) is conjugate base of adenosylcobyric acid (CHEBI:2483)
Incoming Relation(s)
adenosylcobyric acid (CHEBI:2483) is conjugate acid of adenosylcobyrate (CHEBI:58504)
UniProt Name  Source
adenosylcob(III)yrateUniProt