CHEBI:28531 - cob(I)yrinic acid a,c diamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cob(I)yrinic acid a,c diamide
ChEBI ASCII Name cob(I)yrinic acid a,c diamide
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:3785, CHEBI:23329
Supplier Information
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Formula C45H61CoN6O12
Net Charge 0
Average Mass 936.93228
Monoisotopic Mass 936.36794
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;+1/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
SMILES [H][C@]12[C@H](CC(O)=O)[C@@](C)(CCC(O)=O)\C(N1[Co])=C(C)\C1=N\C(=C/C3=N/C(=C(C)\C4=N[C@]2(C)[C@@](C)(CC(N)=O)[C@@H]4CCC(O)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(O)=O)C(C)(C)[C@@H]1CCC(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Source: BioModels - MODEL1507180067 See: PubMed
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cob(I)yrinic acid a,c diamide (CHEBI:28531) has role mouse metabolite (CHEBI:75771)
cob(I)yrinic acid a,c diamide (CHEBI:28531) is a cobyrinic acid a,c diamide (CHEBI:48033)
cob(I)yrinic acid a,c diamide (CHEBI:28531) is conjugate acid of cob(I)yrinate a,c diamide(5−) (CHEBI:58575)
Incoming cob(I)yrinate a,c diamide(5−) (CHEBI:58575) is conjugate base of cob(I)yrinic acid a,c diamide (CHEBI:28531)
Synonyms Sources
Cob(I)yrinate a,c diamide KEGG COMPOUND
Cob(I)yrinate diamide KEGG COMPOUND
Cob(I)yrinic acid a,c-diamide KEGG COMPOUND
Manual Xref Database
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Last Modified
27 January 2016