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CHEBI:8798 - 4a,5-dihydroriboflavin

ChEBI IDCHEBI:8798
ChEBI Name4a,5-dihydroriboflavin
Stars
DefinitionRiboflavin in which the double bond between positions 4a and 5 has been reduced to a single bond.
Last Modified20 May 2010
DownloadsMolfile
FormulaC17H22N4O6
Net Charge0
Average Mass378.385
Monoisotopic Mass378.15393
SMILESCc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1N2
InChIInChI=1S/C17H22N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-14,18,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,13?,14-/m0/s1
InChIKeyUTKDOUCGQVLJIN-PIGZVRMJSA-N
ChEBI Ontology
Outgoing Relation(s)
4a,5-dihydroriboflavin (CHEBI:8798) is a dihydroriboflavins (CHEBI:15031)
4a,5-dihydroriboflavin (CHEBI:8798) is tautomer of 1,5-dihydroriboflavin (CHEBI:17607)
Incoming Relation(s)
1,5-dihydroriboflavin (CHEBI:17607) is tautomer of 4a,5-dihydroriboflavin (CHEBI:8798)
IUPAC Name 
1-deoxy-1-{7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-D-ribitol
Synonyms  Source
4a,5-dihydroriboflavineChemIDplus
7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazineChemIDplus
7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4aH)-dioneIUPAC
Registry NumbersSources
CAS:101652-10-2ChemIDplus