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

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ChEBI Name cob(II)yrinic acid a,c diamide(4−)
ChEBI ID CHEBI:58537
ChEBI ASCII Name cob(II)yrinic acid a,c diamide(4-)
Definition A 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Secondary ChEBI IDs CHEBI:85464
Supplier Information ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358
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Formula C45H56CoN6O12
Net Charge -4
Average Mass 931.89450
Monoisotopic Mass 931.33101
InChI InChI=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
InChIKey IADMSJRJSGLGJI-OKJGWHJPSA-H
SMILES CC1=C2N3[C@H]([C@H](CC([O-])=O)[C@@]2(C)CCC([O-])=O)[C@]2(C)[N+]4=C([C@@H](CCC([O-])=O)[C@]2(C)CC(N)=O)C(C)=C2[N+]5=C(C=C6[N+](=C1[C@@H](CCC([O-])=O)C6(C)C)[Co--]345)[C@@H](CCC([O-])=O)[C@]2(C)CC(N)=O
ChEBI Ontology
Outgoing 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 cob(II)yrinic acid a,c diamide (CHEBI:27937) is conjugate acid of cob(II)yrinic acid a,c diamide(4−) (CHEBI:58537)
Synonym Source
cob(II)yrinate a,c diamide UniProt
Manual Xref Database
CPD-689 MetaCyc
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Last Modified
04 June 2015