CHEBI:60063 - cobalt-precorrin-5B(8−)

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ChEBI Name cobalt-precorrin-5B(8−)
ChEBI ID CHEBI:60063
ChEBI ASCII Name cobalt-precorrin-5B(8-)
Definition A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-5B; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information ZINC000072142408
Download Molfile XML SDF
Formula C43H42CoN4O16
Net Charge -8
Average Mass 929.74400
Monoisotopic Mass 929.19716
InChI InChI=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
InChIKey XHLLHKIBBMZXKO-NXQAVURYSA-D
SMILES C[C@@]1(CCC([O-])=O)[C@@H](CC([O-])=O)C2=C3N4C(=CC5=[N+]6C(C[C@]7(C)N8C(=CC1=[N+]2[Co--]468)C(CCC([O-])=O)=C7CC([O-])=O)=C(CCC([O-])=O)[C@]5(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]3(C)CC([O-])=O
ChEBI Ontology
Outgoing 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 cobalt-precorrin-5B (CHEBI:52489) is conjugate acid of cobalt-precorrin-5B(8−) (CHEBI:60063)
Synonym Source
Co-precorrin-5B UniProt
Last Modified
28 July 2017