CHEBI:60053 - cobalt-precorrin-2(8−)

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ChEBI Name cobalt-precorrin-2(8−) ChEBI ID CHEBI:60053 ChEBI ASCII Name cobalt-precorrin-2(8-) Definition A precorrin carboxylic acid anion obtained by deprotonation of the carboxy groups of cobalt-precorrin-2; 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 Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C42H38CoN4O16 Net Charge -8 Average Mass 913.70150 Monoisotopic Mass 913.16586 InChI InChI=1S/C42H47N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29;/h14-16,21,23-24H,3-13,17-18H2,1-2H3,(H9,43,45,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q-1;+2/p-9/b31-15-;/t21?,23-,24-,41+,42+;/m1./s1 InChIKey BKIWSQUNFCJSOI-HZUOBFSFSA-E SMILES C[C@]1(CC([O-])=O)[C@H](CCC([O-])=O)C2=CC3=[N+]4C(Cc5c(CCC([O-])=O)c(CC([O-])=O)c6C=C7[N+]8=C(C=C1N2[Co--]48n56)[C@@H](CCC([O-])=O)[C@]7(C)CC([O-])=O)=C(CCC([O-])=O)C3CC([O-])=O ChEBI Ontology Outgoing cobalt-precorrin-2(8−) (CHEBI:60053) is a precorrin carboxylic acid anion (CHEBI:59140) cobalt-precorrin-2(8−) (CHEBI:60053) is conjugate base of cobalt-precorrin-2 (CHEBI:3790) Incoming cobalt-precorrin-2 (CHEBI:3790) is conjugate acid of cobalt-precorrin-2(8−) (CHEBI:60053) IUPAC Name {3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-3,7,8,12,13,20-hexahydroporphyrin-2,7,12,18-tetrayl-κ4N21,N22,N23,N24]tetrapropanoato(10−)}cobaltate(6−) Synonyms Sources Co-precorrin-2 UniProt cobalt-precorrin-2 hexaanion ChEBI Manual Xref Database CPD-9039 MetaCyc View more database links Last Modified 28 July 2017