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

ChEBI IDCHEBI:28531
ChEBI Namecob(I)yrinic acid a,c diamide
Stars
ASCII Namecob(I)yrinic acid a,c diamide
Secondary ChEBI IDsCHEBI:3785, CHEBI:23329
Last Modified27 January 2016
DownloadsMolfile
FormulaC45H61CoN6O12
Net Charge0
Average Mass936.946
Monoisotopic Mass936.36794
SMILES[H][C@@]12[C@H](CC(=O)O)[C@@](C)(CCC(=O)O)/C(=C(\C)C3=N/C(=C\C4=N/C(=C(/C)C5=N[C@]1(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(=O)O)[C@@](C)(CC(N)=O)[C@@H]4CCC(=O)O)C(C)(C)[C@@H]3CCC(=O)O)[N]2[Co]
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;+1/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKeyNKLHEMWEQJCPPF-OKJGWHJPSA-M
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
cob(I)yrinate a,c diamide(5−) (CHEBI:58575) is conjugate base of cob(I)yrinic acid a,c diamide (CHEBI:28531)
Synonyms  Source
Cob(I)yrinate a,c diamideKEGG COMPOUND
Cob(I)yrinate diamideKEGG COMPOUND
Cob(I)yrinic acid a,c-diamideKEGG COMPOUND
Manual XrefsDatabases
C06505KEGG COMPOUND