EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:58894 - cob(II)yrinate(6−)

ChEBI IDCHEBI:58894
ChEBI Namecob(II)yrinate(6−)
Stars
ASCII Namecob(II)yrinate(6-)
DefinitionHexaanion of cob(II)yrinic acid arising from global deprotonation of the carboxy groups.
Last Modified9 September 2014
DownloadsMolfile
FormulaC45H52CoN4O14
Net Charge-6
Average Mass931.858
Monoisotopic Mass931.28449
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(=O)[O-])[C@@H]5CCC(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]4CCC(=O)[O-])C(C)(C)[C@@H]3CCC(=O)[O-])[N]2[Co+]
InChIInChI=1S/C45H60N4O14.Co/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57;/h18,23-26,40H,9-17,19-20H2,1-8H3,(H8,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-8/t23-,24-,25-,26+,40-,42-,43+,44+,45+;/m1./s1
InChIKeyZRAQEEAQQLYOBK-OKJGWHJPSA-F
ChEBI Ontology
Outgoing Relation(s)
cob(II)yrinate(6−) (CHEBI:58894) is a cyclic tetrapyrrole anion (CHEBI:58941)
cob(II)yrinate(6−) (CHEBI:58894) is conjugate base of cob(II)yrinic acid (CHEBI:52499)
Incoming Relation(s)
cob(II)yrinic acid (CHEBI:52499) is conjugate acid of cob(II)yrinate(6−) (CHEBI:58894)
IUPAC Name 
3,3',3'',3'''-{[(1R,2S,3S,7S,8S,17R,18R,19R)-2,7,18-tris(carboxylatomethyl)-1,2,5,7,12,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato}cobalt(II)
Synonym  Source
cob(II)yrinate hexaanionChEBI
UniProt Name  Source
cob(II)yrinateUniProt