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CHEBI:58537 - cob(II)yrinic acid a,c diamide(4−)

ChEBI IDCHEBI:58537
ChEBI Namecob(II)yrinic acid a,c diamide(4−)
Stars
ASCII Namecob(II)yrinic acid a,c diamide(4-)
DefinitionA precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cob(II)yrinic acid a,c diamide. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Secondary ChEBI IDCHEBI:85464
Last Modified4 June 2015
SubmitterAnne Morgat
DownloadsMolfile
FormulaC45H56CoN6O12
Net Charge-4
Average Mass931.906
Monoisotopic Mass931.33101
SMILESCC1=C2[N]3[C@H]([C@H](CC(=O)[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(=O)[O-])C7(C)C)[Co-2]364)[C@@H](CCC(=O)[O-])[C@]5(C)CC(N)=O)[C@@H](CCC(=O)[O-])[C@]2(C)CC(N)=O
InChIInChI=1S/C45H62N6O12.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;/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);/q;+2/p-6/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKeyIADMSJRJSGLGJI-OKJGWHJPSA-H
ChEBI Ontology
Outgoing Relation(s)
cob(II)yrinic acid a,c diamide(4−) (CHEBI:58537) is a precorrin carboxylic acid anion (CHEBI:59140)
cob(II)yrinic acid a,c diamide(4−) (CHEBI:58537) is conjugate base of cob(II)yrinic acid a,c diamide (CHEBI:27937)
Incoming Relation(s)
cob(II)yrinic acid a,c diamide (CHEBI:27937) is conjugate acid of cob(II)yrinic acid a,c diamide(4−) (CHEBI:58537)
UniProt Name  Source
cob(II)yrinate a,c diamideUniProt
Manual XrefsDatabases
CPD-689MetaCyc