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
Download Molfile XML SDF
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 Waiting for Citations Type Source
12195810 PubMed citation SUBMITTER
Last Modified
06 June 2014