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4a,5-dihydroriboflavin

PropertiesImage
MNX_IDMNXM727501 Image of MNXM727501
referencechebi:8798
formulaC17H22N4O6
global charge0
mol weight378.385
InChIKeyUTKDOUCGQVLJIN-PIGZVRMJSA-N
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
SMILESCC1=C(C)C=C2C(=C1)NC1C(=O)NC(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)CO
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM727501
SMILES (mnx)[CH3:1][C:7]1=[CH:3][C:9]2=[C:10]([CH:4]=[C:8]1[CH3:2])[N:21]([CH2:5][C@@H:11]([C@@H:14]([C@@H:12]([CH2:6][OH:22])[OH:24])[OH:25])[OH:23])[C:15]1=[N:19][C:17](=[O:27])[N:20]=[C:16]([OH:26])[CH:13]1[NH:18]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)27
in models (compartimentalized) 15
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:8798
chebi:8798
UTKDOUCGQVLJIN-PIGZVRMJSA-N 		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
UTKDOUCGQVLJIN-PIGZVRMJSA-N
UTKDOUCGQVLJIN-UHFFFAOYSA-N 		Reduced riboflavin

vmhM:rbflvrd
vmhmetabolite:rbflvrd
UTKDOUCGQVLJIN-UHFFFAOYSA-N 		Reduced riboflavin
10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione

seed.compound:cpd00739
seedM:cpd00739
UTKDOUCGQVLJIN-PIGZVRMJSA-N 		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
UTKDOUCGQVLJIN-PIGZVRMJSA-N 		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
vmhM:M_rbflvrd 		secondary/obsolete/fantasy identifier