CHEBI:77872 - precorrin-6A(7−)

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ChEBI Name precorrin-6A(7−) ChEBI ID CHEBI:77872 ChEBI ASCII Name precorrin-6A(7-) Definition A precorrin carboxylic acid anion that is the heptaanionic form of precorrin-6A. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.). Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX 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 C44H47N4O16 Net Charge -7 Average Mass 887.86500 Monoisotopic Mass 887.30255 InChI InChI=1S/C44H54N4O16/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/h17,23,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/p-7/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1 InChIKey SOHWQLUTRKYCGZ-YTMGQXKNSA-G SMILES C[C@@]12CC3=C(CCC([O-])=O)[C@](C)(CC([O-])=O)C(\C=C4/N[C@@](C)(C5=C(CC([O-])=O)[C@@](C)(CCC([O-])=O)C(CC(=N1)C(CCC([O-])=O)=C2CC([O-])=O)=N5)[C@@](C)(CC([O-])=O)[C@@H]4CCC([O-])=O)=[NH+]3 ChEBI Ontology Outgoing precorrin-6A(7−) (CHEBI:77872) is a precorrin carboxylic acid anion (CHEBI:59140) precorrin-6A(7−) (CHEBI:77872) is conjugate acid of precorrin-6X(8−) (CHEBI:58513) precorrin-6A(7−) (CHEBI:77872) is conjugate base of precorrin-6X (CHEBI:27513) Incoming precorrin-6X (CHEBI:27513) is conjugate acid of precorrin-6A(7−) (CHEBI:77872) precorrin-6X(8−) (CHEBI:58513) is conjugate base of precorrin-6A(7−) (CHEBI:77872) Synonym Source precorrin-6A UniProt Citation Last Modified 06 June 2014