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CHEBI:52489 - cobalt-precorrin-5B

ChEBI IDCHEBI:52489
ChEBI Namecobalt-precorrin-5B
Stars
Last Modified24 October 2012
SubmitterSteve
DownloadsMolfile
FormulaC43H50CoN4O16
Net Charge0
Average Mass937.818
Monoisotopic Mass937.25538
SMILESC[C@]1(CC(=O)O)C(CCC(=O)O)=C2C[C@@]3(C)C(CC(=O)O)=C(CCC(=O)O)C4=CC5=[N+]6C(=C7[N]8C(=CC1=[N+]2[Co-2]86[N]43)[C@@H](CCC(=O)O)[C@]7(C)CC(=O)O)[C@H](CC(=O)O)[C@@]5(C)CCC(=O)O
InChIInChI=1S/C43H52N4O16.Co/c1-40(12-11-33(54)55)24(14-35(58)59)38-39-42(3,19-37(62)63)21(6-9-31(50)51)26(45-39)16-29-41(2,18-36(60)61)22(7-10-32(52)53)27(44-29)17-43(4)23(13-34(56)57)20(5-8-30(48)49)25(47-43)15-28(40)46-38;/h15-16,21,24H,5-14,17-19H2,1-4H3,(H10,44,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-2/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1
InChIKeyXHLLHKIBBMZXKO-NXQAVURYSA-L
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-5B (CHEBI:52489) is a cobalt corrinoid (CHEBI:33906)
cobalt-precorrin-5B (CHEBI:52489) is conjugate acid of cobalt-precorrin-5B(8−) (CHEBI:60063)
Incoming Relation(s)
cobalt-precorrin-5B(8−) (CHEBI:60063) is conjugate base of cobalt-precorrin-5B (CHEBI:52489)
IUPAC Name 
3,3',3'',3'''-{[(2S,3S,7S,11S,17R,18R)-2,7,12,18-tetrakis(carboxymethyl)-2,7,11,17-tetramethyl-1,19-didehydrocorrin-3,8,13,17-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2−)}cobalt
Synonym  Source
Cobalt-precorrin 5BKEGG COMPOUND
Manual XrefsDatabases
C16243KEGG COMPOUND