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

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ChEBI Name adenosylcob(III)yrinate a,c-diamide(4−)
ChEBI ID CHEBI:58503
ChEBI ASCII Name adenosylcob(III)yrinate a,c-diamide(4-)
Definition Conjugate base of adenosylcob(III)yrinic acid a,c-diamide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C55H68CoN11O15
Net Charge -4
Average Mass 1182.12630
Monoisotopic Mass 1181.42502
InChI InChI=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
InChIKey OCNLJCZKGHKJGF-NQYRMHKHSA-H
SMILES CC1=C2/N=C(/C=C3\N=C([C@@H](CCC([O-])=O)C3(C)C)\C(C)=C3/N([Co+]C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n4cnc5c(N)ncnc45)[C@H]([C@H](CC([O-])=O)[C@@]3(C)CCC([O-])=O)[C@]3(C)N=C\1[C@@H](CCC([O-])=O)[C@]3(C)CC(N)=O)[C@@H](CCC([O-])=O)[C@]2(C)CC(N)=O
ChEBI Ontology
Outgoing 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 adenosylcob(III)yrinic acid a,c-diamide (CHEBI:2482) is conjugate acid of adenosylcob(III)yrinate a,c-diamide(4−) (CHEBI:58503)
Synonym Source
adenosylcob(III)yrinate a,c-diamide UniProt
Last Modified
06 February 2012