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CHEBI:72780 - cobalt-precorrin-6B(7−)

ChEBI IDCHEBI:72780
ChEBI Namecobalt-precorrin-6B(7−)
Stars
ASCII Namecobalt-precorrin-6B(7-)
DefinitionA precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt-precorrin-6B.
Last Modified28 July 2017
SubmitterKAX
DownloadsMolfile
FormulaC44H47CoN4O16
Net Charge-7
Average Mass946.805
Monoisotopic Mass946.23574
SMILES[H][C@]12[C@H](CC(=O)[O-])[C@@](C)(CCC(=O)[O-])C3=[N+]1[Co-2]14[N]5C(=CC6=[N+]1C(=C(CCC(=O)[O-])[C@]6(C)CC(=O)[O-])C[C@@]1(C)C(CC(=O)[O-])=C(CCC(=O)[O-])C(=[N+]14)C3)[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])[C@@]52C
InChIInChI=1S/C44H56N4O16.Co/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39;/h17,23,25,39H,6-16,18-20H2,1-5H3,(H9,45,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64);/q;+2/p-9/t23-,25+,39-,40-,41+,42+,43+,44+;/m1./s1
InChIKeyRFBIUXAOZAPWCC-RDKWKEIWSA-E
ChEBI Ontology
Outgoing Relation(s)
cobalt-precorrin-6B(7−) (CHEBI:72780) is a precorrin carboxylic acid anion (CHEBI:59140)
cobalt-precorrin-6B(7−) (CHEBI:72780) is conjugate base of cobalt-precorrin-6B (CHEBI:3789)
Incoming Relation(s)
cobalt-precorrin-6B (CHEBI:3789) is conjugate acid of cobalt-precorrin-6B(7−) (CHEBI:72780)
UniProt Name  Source
Co-precorrin-6BUniProt
Manual XrefsDatabases
CPD-9044MetaCyc