CHEBI:60060 - cobalt-precorrin-3(8−)

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ChEBI Name cobalt-precorrin-3(8−) ChEBI ID CHEBI:60060 ChEBI ASCII Name cobalt-precorrin-3(8-) Definition A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-3; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Kristian Axelsen Supplier Information We are unable to retrieve the vendor information for this entry at this time. Please try again later. Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C43H40CoN4O16 Net Charge -8 Average Mass 927.72810 Monoisotopic Mass 927.18151 InChI InChI=1S/C43H49N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)43(3,18-39(62)63)41(19)47-30;/h15-16,22,24-25H,4-14,17-18H2,1-3H3,(H9,44,45,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,63);/q-1;+2/p-9/b41-19-;/t22?,24-,25-,42+,43+;/m1./s1 InChIKey FKTVLCPLZMVWHD-LPFAUARPSA-E SMILES CC1=C2[N+]3=C(C=C4N5C(=CC6=[N+]7C(Cc8c(CCC([O-])=O)c(CC([O-])=O)c1n8[Co--]357)=C(CCC([O-])=O)C6CC([O-])=O)[C@@H](CCC([O-])=O)[C@]4(C)CC([O-])=O)[C@@H](CCC([O-])=O)[C@]2(C)CC([O-])=O ChEBI Ontology Outgoing cobalt-precorrin-3(8−) (CHEBI:60060) is a precorrin carboxylic acid anion (CHEBI:59140) cobalt-precorrin-3(8−) (CHEBI:60060) is conjugate base of cobalt-precorrin-3 (CHEBI:3791) Incoming cobalt-precorrin-3 (CHEBI:3791) is conjugate acid of cobalt-precorrin-3(8−) (CHEBI:60060) IUPAC Name {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13,15-trimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(10-)}cobaltate(6−) Synonym Source Co-precorrin-3 UniProt Last Modified 28 July 2017