CHEBI:3794 - cobalt-precorrin-6A

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ChEBI Name cobalt-precorrin-6A
ChEBI ID CHEBI:3794
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C44H53CoN4O16
Net Charge +1
Average Mass 952.84200
Monoisotopic Mass 952.27830
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-1/t23-,40-,41+,42+,43+,44+;/m1./s1
InChIKey DFFFCFUPOVLDTP-IICGDJHVSA-M
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
Roles Classification
Biological Role(s): 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).
(via corrinoid )
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ChEBI Ontology
Outgoing cobalt-precorrin-6A (CHEBI:3794) is a cobalt corrinoid (CHEBI:33906)
cobalt-precorrin-6A (CHEBI:3794) is conjugate acid of cobalt-precorrin-6A(7−) (CHEBI:60064)
Incoming cobalt-precorrin-6A(7−) (CHEBI:60064) is conjugate base of cobalt-precorrin-6A (CHEBI:3794)
IUPAC Name
3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2−)}cobalt
Synonyms Sources
Cobalt-precorrin 6 KEGG COMPOUND
Cobalt-precorrin 6A KEGG COMPOUND
Manual Xref Database
C11542 KEGG COMPOUND
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Last Modified
29 October 2012