CHEBI:60063 - cobalt-precorrin-5B(8−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 No supplier information found for this compound.
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