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CHEBI:27858 - precorrin-6Y

ChEBI IDCHEBI:27858
ChEBI Nameprecorrin-6Y
Stars
DefinitionThe intermediate in the biosynthesis of vitamin B12 from uroporphyrinogen III in which six methyl groups have been introduced into the tetrapyrrole framework, together with ring contraction and reduction.
Secondary ChEBI IDsCHEBI:8376, CHEBI:14876, CHEBI:26226
Last Modified3 August 2014
DownloadsMolfile

FormulaC44H56N4O16
Net Charge0
Average Mass896.944
Monoisotopic Mass896.36913
SMILES[H][C@]12N=C(/C=C3\N[C@@](C)(CC4=C(CCC(=O)O)[C@](C)(CC(=O)O)C(=N4)/C=C4\N[C@]1(C)[C@@](C)(CC(=O)O)[C@@H]4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O)[C@](C)(CCC(=O)O)[C@H]2CC(=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)/b26-16-,27-17-/t23-,25+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKeyNWRSYSRVTYBWJV-WFECKALKSA-N

Roles Classification

ChEBI Ontology
IUPAC Name 
3,3',3'',3'''-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-pentamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acid
Synonyms  Source
Precorrin 6YKEGG COMPOUND
Precorrin 6BKEGG COMPOUND
3-[(1R,2S,3S,7S,11S,17R,18R,19R)-2,7,12,18-tetrakis(carboxymethyl)-1,2,7,11,17-octamethylcorrin-3,8,13,17-tetrayl]tetrapropanoic acidChemIDplus
Manual XrefsDatabases
C06319KEGG COMPOUND
Registry NumbersSources
Beilstein:4901795Beilstein
CAS:139663-55-1ChemIDplus