CHEBI:72780 - cobalt-precorrin-6B(7−)

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ChEBI Name cobalt-precorrin-6B(7−)
ChEBI ID CHEBI:72780
ChEBI ASCII Name cobalt-precorrin-6B(7-)
Definition A precorrin carboxylic acid anion obtained by global deprotonation of the carboxy groups of cobalt-precorrin-6B.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information ZINC000000004360
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Formula C44H47CoN4O16
Net Charge -7
Average Mass 946.79440
Monoisotopic Mass 946.23574
InChI InChI=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
InChIKey RFBIUXAOZAPWCC-RDKWKEIWSA-E
SMILES [H][C@]12[C@H](CC([O-])=O)[C@@](C)(CCC([O-])=O)C3=[N+]1[Co--]14N5C(=CC6=[N+]1C(C[C@@]1(C)C(CC([O-])=O)=C(CCC([O-])=O)C(C3)=[N+]41)=C(CCC([O-])=O)[C@]6(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@](C)(CC([O-])=O)[C@]25C
ChEBI Ontology
Outgoing 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 cobalt-precorrin-6B (CHEBI:3789) is conjugate acid of cobalt-precorrin-6B(7−) (CHEBI:72780)
Synonym Source
Co-precorrin-6B UniProt
Manual Xref Database
CPD-9044 MetaCyc
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Last Modified
28 July 2017