CHEBI:27937 - cob(II)yrinic acid a,c diamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cob(II)yrinic acid a,c diamide
ChEBI ID CHEBI:27937
ChEBI ASCII Name cob(II)yrinic acid a,c diamide
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23331, CHEBI:3787
Supplier Information No supplier information found for this compound.
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Formula C45H61CoN6O12
Net Charge +1
Average Mass 936.93228
Monoisotopic Mass 936.36739
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-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKey IADMSJRJSGLGJI-OKJGWHJPSA-M
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
ChEBI Ontology
Outgoing cob(II)yrinic acid a,c diamide (CHEBI:27937) is a cobyrinic acid a,c diamide (CHEBI:48033)
cob(II)yrinic acid a,c diamide (CHEBI:27937) is conjugate acid of cob(II)yrinic acid a,c diamide(4−) (CHEBI:58537)
Incoming cob(II)yrinic acid a,c diamide(4−) (CHEBI:58537) is conjugate base of cob(II)yrinic acid a,c diamide (CHEBI:27937)
Synonyms Sources
Cob(II)yrinate a,c diamide KEGG COMPOUND
Cob(II)yrinate diamide KEGG COMPOUND
Cob(II)yrinic acid a,c-diamide KEGG COMPOUND
Manual Xref Database
C06504 KEGG COMPOUND
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Last Modified
04 August 2014