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CHEBI:3795 - cobalt-precorrin-8

ChEBI IDCHEBI:3795
ChEBI Namecobalt-precorrin-8
Stars
DefinitionA cobalt corrinoid that is precorrin-8 in which the four pyrrole-type nitrogens are bound to a central cobalt atom.
Last Modified3 August 2014
DownloadsMolfile
FormulaC45H59CoN4O14
Net Charge0
Average Mass938.914
Monoisotopic Mass938.33597
SMILES[H][C@]12[C@H](CC(=O)O)[C@@](C)(CCC(=O)O)C3=[N+]1[Co-3]14[N]5C(=C(C)C6=[N+]1C(=C(CCC(=O)O)[C@]6(C)CC(=O)O)C[C@@]1(C)C(C)=C(CCC(=O)O)C(=[N+]14)C3C)[C@@H](CCC(=O)O)[C@](C)(CC(=O)O)[C@@]52C
InChIInChI=1S/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40H,9-20H2,1-8H3,(H8,46,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+1/p-1/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1
InChIKeyPWLXSVIETQPKMK-WTEINHRPSA-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-8 (CHEBI:3795) has functional parent precorrin-8X (CHEBI:28629)
cobalt-precorrin-8 (CHEBI:3795) is a cobalt corrinoid (CHEBI:33906)
cobalt-precorrin-8 (CHEBI:3795) is conjugate acid of cobalt-precorrin-8(6−) (CHEBI:70792)
Incoming Relation(s)
cobalt-precorrin-8(6−) (CHEBI:70792) is conjugate base of cobalt-precorrin-8 (CHEBI:3795)
IUPAC Name 
3,3',3'',3'''-{[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,18-tris(carboxymethyl)-1,2,5,7,11,12,15,17-octamethylcorrin-3,8,13,17-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(2−)}cobalt
Synonyms  Source
Cobalt-precorrin 8KEGG COMPOUND
cobalt-precorrin-8xMetaCyc
Manual XrefsDatabases
C11545KEGG COMPOUND
CPD-9045MetaCyc
Citations