CHEBI:58513 - precorrin-6X(8−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name precorrin-6X(8−)
ChEBI ID CHEBI:58513
ChEBI ASCII Name precorrin-6X(8-)
Definition Octacarboxylate anion of precorrin-6X.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C44H46N4O16
Net Charge -8
Average Mass 886.85320
Monoisotopic Mass 886.29527
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-8/b27-17-/t23-,40-,41+,42+,43+,44+/m1/s1
InChIKey SOHWQLUTRKYCGZ-YTMGQXKNSA-F
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)=N3
ChEBI Ontology
Outgoing precorrin-6X(8−) (CHEBI:58513) is a precorrin carboxylic acid anion (CHEBI:59140)
precorrin-6X(8−) (CHEBI:58513) is conjugate base of precorrin-6A(7−) (CHEBI:77872)
precorrin-6X(8−) (CHEBI:58513) is conjugate base of precorrin-6X (CHEBI:27513)
Incoming precorrin-6A(7−) (CHEBI:77872) is conjugate acid of precorrin-6X(8−) (CHEBI:58513)
precorrin-6X (CHEBI:27513) is conjugate acid of precorrin-6X(8−) (CHEBI:58513)
IUPAC Name
3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R)-2,7,12,18-tetrakis(carboxylatomethyl)-1,2,7,11,17-pentamethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoate
Last Modified
06 June 2014