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CHEBI:58503 - adenosylcob(III)yrinate a,c-diamide(4−)

ChEBI IDCHEBI:58503
ChEBI Nameadenosylcob(III)yrinate a,c-diamide(4−)
Stars
ASCII Nameadenosylcob(III)yrinate a,c-diamide(4-)
DefinitionConjugate base of adenosylcob(III)yrinic acid a,c-diamide.
Last Modified6 February 2012
DownloadsMolfile
FormulaC55H68CoN11O15
Net Charge-4
Average Mass1182.144
Monoisotopic Mass1181.42502
SMILESC/C1=C2/[N]([Co+][CH2][C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@H]([C@H](CC(=O)[O-])[C@@]2(C)CCC(=O)[O-])[C@]2(C)N=C(/C(C)=C3\N=C(/C=C4\N=C1[C@@H](CCC(=O)[O-])C4(C)C)[C@@H](CCC(=O)[O-])[C@]3(C)CC(N)=O)[C@@H](CCC(=O)[O-])[C@]2(C)CC(N)=O
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-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;4-,6-,7-,10-;/m11./s1
InChIKeyOCNLJCZKGHKJGF-NQYRMHKHSA-H
ChEBI Ontology
Outgoing Relation(s)
adenosylcob(III)yrinate a,c-diamide(4−) (CHEBI:58503) is a pentacarboxylic acid anion (CHEBI:35755)
adenosylcob(III)yrinate a,c-diamide(4−) (CHEBI:58503) is conjugate base of adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482)
Incoming Relation(s)
adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482) is conjugate acid of adenosylcob(III)yrinate a,c-diamide(4−) (CHEBI:58503)
UniProt Name  Source
adenosylcob(III)yrinate a,c-diamideUniProt