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CHEBI:60063 - cobalt-precorrin-5B(8−)

ChEBI IDCHEBI:60063
ChEBI Namecobalt-precorrin-5B(8−)
Stars
ASCII Namecobalt-precorrin-5B(8-)
DefinitionA precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-5B; major species at pH 7.3.
Last Modified28 July 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC43H42CoN4O16
Net Charge-8
Average Mass929.754
Monoisotopic Mass929.19716
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-10/b39-38-;/t21-,24+,40-,41+,42+,43+;/m1./s1
InChIKeyXHLLHKIBBMZXKO-NXQAVURYSA-D
ChEBI Ontology
Outgoing Relation(s)
cobalt-precorrin-5B(8−) (CHEBI:60063) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt-precorrin-5B(8−) (CHEBI:60063) is conjugate base of cobalt-precorrin-5B (CHEBI:52489)
Incoming Relation(s)
cobalt-precorrin-5B (CHEBI:52489) is conjugate acid of cobalt-precorrin-5B(8−) (CHEBI:60063)
UniProt Name  Source
Co-precorrin-5BUniProt