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CHEBI:70820 - cob(II)yrinic acid c monoamide

ChEBI IDCHEBI:70820
ChEBI Namecob(II)yrinic acid c monoamide
Stars
ASCII Namecob(II)yrinic acid c monoamide
DefinitionA cobalt corrinoid obtained via amidation of the carboxy group at position c of cob(II)yrinic acid.
Last Modified31 October 2012
SubmitterSteve
DownloadsMolfile
FormulaC45H60CoN5O13
Net Charge+1
Average Mass937.930
Monoisotopic Mass937.35141
SMILES[H][C@@]12[C@H](CC(=O)O)[C@@](C)(CCC(=O)O)C3=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]1(C)[C@@](C)(CC(=O)O)[C@@H]8CCC(=O)O)[Co-2]57[N]32)[C@@](C)(CC(N)=O)[C@@H]6CCC(=O)O)C(C)(C)[C@@H]4CCC(=O)O
InChIInChI=1S/C45H61N5O13.Co/c1-21-36-24(10-13-31(54)55)41(3,4)28(48-36)18-27-23(9-12-30(52)53)43(6,19-29(46)51)39(47-27)22(2)37-25(11-14-32(56)57)44(7,20-35(62)63)45(8,50-37)40-26(17-34(60)61)42(5,38(21)49-40)16-15-33(58)59;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-1/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKeyNJNUXMOGJWUPPV-OKJGWHJPSA-M
Roles Classification
Biological Role:
cofactor  An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group).
ChEBI Ontology
Outgoing Relation(s)
cob(II)yrinic acid c monoamide (CHEBI:70820) has functional parent cob(II)yrinic acid (CHEBI:52499)
cob(II)yrinic acid c monoamide (CHEBI:70820) is a cobalt corrinoid (CHEBI:33906)
cob(II)yrinic acid c monoamide (CHEBI:70820) is conjugate acid of cob(II)yrinate c monoamide(5−) (CHEBI:70793)
Incoming Relation(s)
cob(II)yrinate c monoamide(5−) (CHEBI:70793) is conjugate base of cob(II)yrinic acid c monoamide (CHEBI:70820)
Citations