EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:60062 - cobalt-precorrin-5A(7−)

ChEBI IDCHEBI:60062
ChEBI Namecobalt-precorrin-5A(7−)
Stars
ASCII Namecobalt-precorrin-5A(7-)
DefinitionA precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-5A; major species at pH 7.3.
Last Modified28 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC45H45CoN4O16
Net Charge-7
Average Mass956.800
Monoisotopic Mass956.22009
SMILESCC1OC(=O)C[C@@]2(C)[C@H](CCC(=O)[O-])C3=CC4=[N+]5C(=C(CCC(=O)[O-])[C@]4(C)CC(=O)[O-])C[C@@]4(C)C(CC(=O)[O-])=C(CCC(=O)[O-])C6=CC7=[N+]8C(=C(CC(=O)[O-])[C@@]7(C)CCC(=O)[O-])C12[N]3[Co-2]58[N]64
InChIInChI=1S/C45H54N4O16.Co/c1-21-45-40-26(15-37(60)61)41(2,13-12-35(56)57)30(47-40)16-27-22(6-9-32(50)51)25(14-36(58)59)44(5,48-27)18-29-23(7-10-33(52)53)42(3,19-38(62)63)31(46-29)17-28(49-45)24(8-11-34(54)55)43(45,4)20-39(64)65-21;/h16-17,21,24H,6-15,18-20H2,1-5H3,(H9,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q;+2/p-9/t21?,24-,41-,42+,43+,44+,45?;/m1./s1
InChIKeyFMPRUTAGAUSVOA-IBAGIMPYSA-E
ChEBI Ontology
Outgoing Relation(s)
cobalt-precorrin-5A(7−) (CHEBI:60062) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt-precorrin-5A(7−) (CHEBI:60062) is conjugate base of cobalt-precorrin-5A (CHEBI:52488)
Incoming Relation(s)
cobalt-precorrin-5A (CHEBI:52488) is conjugate acid of cobalt-precorrin-5A(7−) (CHEBI:60062)
UniProt Name  Source
Co-precorrin-5AUniProt