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CHEBI:2482 - adenosylcob(III)yrinic acid a,c-diamide

ChEBI IDCHEBI:2482
ChEBI Nameadenosylcob(III)yrinic acid a,c-diamide
Stars
ASCII Nameadenosylcob(III)yrinic acid a,c-diamide
DefinitionA cobalt corrinoid that is cob(III)yrinic acid a,c-diamide having a 5'-adenosyl group attached to the central cobalt atom.
Last Modified27 January 2016
DownloadsMolfile
FormulaC55H73CoN11O15
Net Charge+1
Average Mass1187.184
Monoisotopic Mass1186.46141
SMILES[H][C@@]12[C@H](CC(=O)O)[C@@](C)(CCC(=O)O)/C(=C(\C)C3=N/C(=C\C4=N/C(=C(/C)C5=N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)O)[C@@](C)(CC(N)=O)[C@@H]4CCC(=O)O)C(C)(C)[C@@H]3CCC(=O)O)[N]2[Co+][CH2][C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,38(21)50-40)16-15-34(60)61;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,(H10,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1
InChIKeyOCNLJCZKGHKJGF-NQYRMHKHSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
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)
adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482) has functional parent cob(III)yrinic acid a,c diamide (CHEBI:48034)
adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482) has role mouse metabolite (CHEBI:75771)
adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482) is a cobalt corrinoid (CHEBI:33906)
adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482) is conjugate acid of adenosylcob(III)yrinate a,c-diamide(4−) (CHEBI:58503)
Incoming Relation(s)
adenosylcob(III)yrinate a,c-diamide(4−) (CHEBI:58503) is conjugate base of adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482)
Synonyms  Source
Adenosyl cobyrinate a,c diamideKEGG COMPOUND
Adenosyl cobyrinate diamideKEGG COMPOUND
Adenosylcob(III)yrinic acid a,c-diamideKEGG COMPOUND
Adenosylcobyrinic acid a,c-diamideKEGG COMPOUND
Manual XrefsDatabases
C06506KEGG COMPOUND