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CHEBI:3789 - cobalt-precorrin-6B

ChEBI IDCHEBI:3789
ChEBI Namecobalt-precorrin-6B
Stars
Last Modified18 March 2013
DownloadsMolfile
FormulaC44H55CoN4O16
Net Charge+1
Average Mass954.869
Monoisotopic Mass954.29395
SMILES[H][C@]12[C@H](CC(=O)O)[C@@](C)(CCC(=O)O)C3=[N+]1[Co-2]14[N]5C(=CC6=[N+]1C(=C(CCC(=O)O)[C@]6(C)CC(=O)O)C[C@@]1(C)C(CC(=O)O)=C(CCC(=O)O)C(=[N+]14)C3)[C@@H](CCC(=O)O)[C@](C)(CC(=O)O)[C@@]52C
InChIInChI=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
InChIKeyRFBIUXAOZAPWCC-RDKWKEIWSA-M
Roles Classification
Biological Role:
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).
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
Cobalt-dihydro-precorrin 6KEGG COMPOUND
Cobalt-precorrin 6BKEGG COMPOUND
Manual XrefsDatabases
C11543KEGG COMPOUND
CPD-9044MetaCyc