CHEBI:3789 - cobalt-precorrin-6B

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ChEBI Name cobalt-precorrin-6B
ChEBI ID CHEBI:3789
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information eMolecules:37036685, ZINC000000135386
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Formula C44H55CoN4O16
Net Charge +1
Average Mass 954.85790
Monoisotopic Mass 954.29395
InChI InChI=1S/C44H56N4O16.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;/h17,23,25,39H,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-,25+,39-,40-,41+,42+,43+,44+;/m1./s1
InChIKey RFBIUXAOZAPWCC-RDKWKEIWSA-M
SMILES [H][C@]12[C@H](CC(O)=O)[C@@](C)(CCC(O)=O)C3=[N+]1[Co--]14N5C(=CC6=[N+]1C(C[C@@]1(C)C(CC(O)=O)=C(CCC(O)=O)C(C3)=[N+]41)=C(CCC(O)=O)[C@]6(C)CC(O)=O)[C@@H](CCC(O)=O)[C@](C)(CC(O)=O)[C@]25C
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-6B (CHEBI:3789) is a cobalt corrinoid (CHEBI:33906)
cobalt-precorrin-6B (CHEBI:3789) is conjugate acid of cobalt-precorrin-6B(7−) (CHEBI:72780)
Incoming cobalt-precorrin-6B(7−) (CHEBI:72780) is conjugate base of cobalt-precorrin-6B (CHEBI:3789)
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-pentamethylcorrin-3,8,13,17-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2−)}cobalt
Synonyms Sources
Cobalt-dihydro-precorrin 6 KEGG COMPOUND
Cobalt-precorrin 6B KEGG COMPOUND
Manual Xrefs Databases
C11543 KEGG COMPOUND
CPD-9044 MetaCyc
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Last Modified
18 March 2013