CHEBI:60064 - cobalt-precorrin-6A(7−)

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ChEBI Name cobalt-precorrin-6A(7−)
ChEBI ID CHEBI:60064
ChEBI ASCII Name cobalt-precorrin-6A(7-)
Definition A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-6A; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C44H45CoN4O16
Net Charge -7
Average Mass 944.77850
Monoisotopic Mass 944.22009
InChI InChI=1S/C44H54N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-9/t23-,40-,41+,42+,43+,44+;/m1./s1
InChIKey DFFFCFUPOVLDTP-IICGDJHVSA-E
SMILES C[C@@]1(CCC([O-])=O)C(CC([O-])=O)=C2[N+]3=C1CC1=[N+]4[C@@](C)(CC5=C(CCC([O-])=O)[C@](C)(CC([O-])=O)C6=[N+]5[Co--]34N3C(=C6)[C@@H](CCC([O-])=O)[C@](C)(CC([O-])=O)[C@]23C)C(CC([O-])=O)=C1CCC([O-])=O
ChEBI Ontology
Outgoing cobalt-precorrin-6A(7−) (CHEBI:60064) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt-precorrin-6A(7−) (CHEBI:60064) is conjugate base of cobalt-precorrin-6A (CHEBI:3794)
Incoming cobalt-precorrin-6A (CHEBI:3794) is conjugate acid of cobalt-precorrin-6A(7−) (CHEBI:60064)
Synonym Source
Co-precorrin-6A UniProt
Last Modified
28 July 2017