EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:85905 - cobalt(II)-factor IV

ChEBI IDCHEBI:85905
ChEBI Namecobalt(II)-factor IV
Stars
DefinitionA cobalt-corrinoid heptacarboxylic acid that is produced by Salmonella typhimurium.
Last Modified1 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC44H49CoN4O16
Net Charge+1
Average Mass948.821
Monoisotopic Mass948.24700
SMILESCC1OC(=O)C[C@@]2(C)[C@H](CCC(=O)O)C3=CC4=[N+]5C(=CC6=[N+]7C(=CC8=[N+]9C(=C(CC(=O)O)[C@@]8(C)CCC(=O)O)C12[N]3[Co-2]795)C(CCC(=O)O)=C6CC(=O)O)[C@@H](CCC(=O)O)[C@]4(C)CC(=O)O
InChIInChI=1S/C44H50N4O16.Co/c1-20-44-40-25(14-37(59)60)41(2,12-11-35(55)56)30(47-40)16-27-21(5-8-32(49)50)22(13-36(57)58)26(45-27)15-28-23(6-9-33(51)52)42(3,18-38(61)62)31(46-28)17-29(48-44)24(7-10-34(53)54)43(44,4)19-39(63)64-20;/h15-17,20,23-24H,5-14,18-19H2,1-4H3,(H8,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-1/t20?,23-,24-,41-,42+,43+,44?;/m1./s1
InChIKeyZDUIHCOHHVRNFY-AJSUAYSOSA-M
Species of MetaboliteComponentSourceComments
Salmonella typhimurium (ncbitaxon:90371) - PubMed (16198574)
Roles Classification
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
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).
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(II)-factor IV (CHEBI:85905) has role bacterial metabolite (CHEBI:76969)
cobalt(II)-factor IV (CHEBI:85905) is a cobalt-corrinoid heptacarboxylic acid (CHEBI:23389)
cobalt(II)-factor IV (CHEBI:85905) is a metalloporphyrin (CHEBI:25216)
cobalt(II)-factor IV (CHEBI:85905) is conjugate acid of cobalt(II)-factor IV(6−) (CHEBI:85471)
Incoming Relation(s)
cobalt(II)-factor IV(6−) (CHEBI:85471) is conjugate base of cobalt(II)-factor IV (CHEBI:85905)
Citations