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4a,5-dihydroriboflavin

Properties

Image

Occurences in reactions

MNX_ID

MNXM727501

	#reac
in my sandbox	0
in MNXref (generic)	23
in models (compartimentalized)	15

formula

C₁₇H₂₂N₄O₆

charge

mass

378.15393

reference

chebi:8798

InChIKey

UTKDOUCGQVLJIN-PIGZVRMJSA-N

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

SMILES

Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO)C1=NC(=O)NC(=O)C1N2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:8798 chebi:8798	4a,5-dihydroriboflavin 1-deoxy-1-{7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-D-ribitol 4a,5-dihydroriboflavine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4aH)-dione
bigg.metabolite:rbflvrd biggM:rbflvrd sabiork.compound:2213 sabiorkM:2213	Reduced riboflavin
seed.compound:cpd00739 seedM:cpd00739	Reduced riboflavin 4a,5-dihydroriboflavine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4aH)-dione reduced riboflavin ribflvRD
metacyc.compound:CPD-316 metacycM:CPD-316	reduced riboflavin 4a,5-dihydroriboflavine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4aH)-dione
biggM:M_rbflvrd seedM:M_cpd00739	secondary/obsolete/fantasy identifier