CHEBI:8798 - 4a,5-dihydroriboflavin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4a,5-dihydroriboflavin
ChEBI ID CHEBI:8798
Definition Riboflavin in which the double bond between positions 4a and 5 has been reduced to a single bond.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C17H22N4O6
Net Charge 0
Average Mass 378.37980
Monoisotopic Mass 378.154
InChI InChI=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
InChIKey UTKDOUCGQVLJIN-PIGZVRMJSA-N
SMILES Cc1cc2NC3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
ChEBI Ontology
Outgoing 4a,5-dihydroriboflavin (CHEBI:8798) is a dihydroriboflavins (CHEBI:15031)
4a,5-dihydroriboflavin (CHEBI:8798) is tautomer of 1,5-dihydroriboflavin (CHEBI:17607)
Incoming 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 Sources
4a,5-dihydroriboflavine ChemIDplus
7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine ChemIDplus
7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4aH)-dione IUPAC
Registry Number Type Source
101652-10-2 CAS Registry Number ChemIDplus
Last Modified
20 May 2010