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CHEBI:58513 - precorrin-6X(8−)

ChEBI IDCHEBI:58513
ChEBI Nameprecorrin-6X(8−)
Stars
ASCII Nameprecorrin-6X(8-)
DefinitionOctacarboxylate anion of precorrin-6X.
Last Modified6 June 2014
DownloadsMolfile
FormulaC44H46N4O16
Net Charge-8
Average Mass886.864
Monoisotopic Mass886.29527
SMILESC[C@]1(CCC(=O)[O-])C2=NC(=C1CC(=O)[O-])[C@]1(C)N/C(=C\C3=NC(=C(CCC(=O)[O-])[C@]3(C)CC(=O)[O-])C[C@]3(C)N=C(C2)C(CCC(=O)[O-])=C3CC(=O)[O-])[C@@H](CCC(=O)[O-])[C@]1(C)CC(=O)[O-]
InChIInChI=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
InChIKeySOHWQLUTRKYCGZ-YTMGQXKNSA-F
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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