CHEBI:58894 - cob(II)yrinate(6−)

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ChEBI Name cob(II)yrinate(6−) ChEBI ID CHEBI:58894 ChEBI ASCII Name cob(II)yrinate(6-) Definition Hexaanion of cob(II)yrinic acid arising from global deprotonation of the carboxy groups. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C45H52CoN4O14 Net Charge -6 Average Mass 931.84600 Monoisotopic Mass 931.28449 InChI InChI=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 InChIKey ZRAQEEAQQLYOBK-OKJGWHJPSA-F 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([O-])=O)[C@@H]4CCC([O-])=O)[C@@](C)(CC([O-])=O)[C@@H]3CCC([O-])=O)C(C)(C)[C@@H]1CCC([O-])=O ChEBI Ontology Outgoing 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 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) Synonyms Sources cob(II)yrinate UniProt cob(II)yrinate hexaanion ChEBI Last Modified 09 September 2014