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CHEBI:58532 - precorrin-6Y(6−)

ChEBI IDCHEBI:58532
ChEBI Nameprecorrin-6Y(6−)
Stars
ASCII Nameprecorrin-6Y(6-)
DefinitionHexaanion of precorrin-6Y.
Last Modified14 January 2013
DownloadsMolfile

FormulaC44H50N4O16
Net Charge-6
Average Mass890.896
Monoisotopic Mass890.32547
SMILESC[C@@]1(CC(=O)[O-])C2=NC(=C1CCC(=O)[O-])C[C@]1(C)[NH2+]/C(=C\C3=N[C@H]([C@H](CC(=O)[O-])[C@@]3(C)CCC(=O)[O-])[C@]3(C)[NH2+]/C(=C\2)[C@@H](CCC(=O)[O-])[C@]3(C)CC(=O)[O-])C(CCC(=O)[O-])=C1CC(=O)[O-]
InChIInChI=1S/C44H56N4O16/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/h16-17,23,25,39,47-48H,6-15,18-20H2,1-5H3,(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-6/b26-16-,27-17-/t23-,25+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKeyNWRSYSRVTYBWJV-WFECKALKSA-H

ChEBI Ontology
UniProt Name  Source
precorrin-6BUniProt