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CHEBI:85471 - cobalt(II)-factor IV(6−)

ChEBI IDCHEBI:85471
ChEBI Namecobalt(II)-factor IV(6−)
Stars
ASCII Namecobalt(II)-factor IV(6-)
DefinitionA precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt(II)-factor IV. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified28 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC44H42CoN4O16
Net Charge-6
Average Mass941.765
Monoisotopic Mass941.19607
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-8/t20?,23-,24-,41-,42+,43+,44?;/m1./s1
InChIKeyZDUIHCOHHVRNFY-AJSUAYSOSA-F
Species of MetaboliteComponentSourceComments
Salmonella typhimurium (ncbitaxon:90371) - PubMed (16198574)
Roles Classification
Biological Role:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
ChEBI Ontology
Outgoing Relation(s)
cobalt(II)-factor IV(6−) (CHEBI:85471) has role bacterial metabolite (CHEBI:76969)
cobalt(II)-factor IV(6−) (CHEBI:85471) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt(II)-factor IV(6−) (CHEBI:85471) is conjugate base of cobalt(II)-factor IV (CHEBI:85905)
Incoming Relation(s)
cobalt(II)-factor IV (CHEBI:85905) is conjugate acid of cobalt(II)-factor IV(6−) (CHEBI:85471)
UniProt Name  Source
Co(II)-factor IVUniProt
Citations