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riboflavin

Properties Image MNX_ID MNXM270 reference chebi:57986 formula C17H19N4O6 global charge -1 mol weight 375.361 InChIKey AUNGANRZJHBGPY-SCRDCRAPSA-M InChI InChI=1S/C17H20N4O6/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/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p-1/t11-,12+,14-/m0/s1 SMILES CC1=C(C)C=C2C(=C1)N=C1C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)CO MNX internals InChI (mnx) InChI=1/C17H20N4O6/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/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1 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])[C:13]1=[N:18]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 72 in models (compartimentalized) 108

Similar chemical compounds in external resources

Identifier	Description
reactome:R-ALL-196931 reactomeM:R-ALL-196931 reactome:R-ALL-3165253 reactomeM:R-ALL-3165253 CHEBI:57986 chebi:57986 AUNGANRZJHBGPY-SCRDCRAPSA-M	riboflavin 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-2H-benzo[g]pteridin-3-id-10(4H)-yl)-D-ribitol 7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridin-3-ide riboflavin anion riboflavin(1-) vitamin B2(1-)
bigg.metabolite:ribflv biggM:ribflv AUNGANRZJHBGPY-SCRDCRAPSA-N	Riboflavin
kegg.drug:D00050 keggD:D00050 AUNGANRZJHBGPY-SCRDCRAPSA-N	Riboflavin (JP18/USP/INN) Bisulase (TN)
hmdb:HMDB0000244 AUNGANRZJHBGPY-SCRDCRAPSA-N	Riboflavin (-)-Riboflavin 1-Deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10(2H)-yl)-D-ribitol 1-Deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol 6,7-Dimethyl-9-D-ribitylisoalloxazine 6,7-Dimethyl-9-ribitylisoalloxazine 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-benzo[g]pteridine-2,4(3H,10H)-dione 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione 7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine 7,8-Dimethyl-10-ribitylisoalloxazine 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione Beflavin Beflavine Benzo[g]pteridine riboflavin deriv. Bisulase FOOD Yellow 15 Flavaxin Flavin BB Flaxain Hyre Lactobene Lactoflavin Lactoflavine RIBOFLAVINE Ribipca Ribocrisina Riboderm Riboflavina Riboflavinum Ribosyn Ribotone Ribovel Russupteridine yellow III San yellow b Vitaflavine Vitamin b 2 Vitamin b2 Vitamin g Vitasan b2 e 101 e101 riboflavin
seed.compound:cpd00220 seedM:cpd00220 AUNGANRZJHBGPY-SCRDCRAPSA-N	Riboflavin 7,8-Dimethyl-10-ribitylisoalloxazine D-Ribf Lactoflavin RIBF Ribf Vitamin B2 ribflv riboflavin vitamin B2 x-drib-PEN-1:4
sabiork.compound:1996 sabiorkM:1996 kegg.compound:C00255 keggC:C00255 AUNGANRZJHBGPY-SCRDCRAPSA-N	Riboflavin 7,8-Dimethyl-10-ribitylisoalloxazine Lactoflavin Vitamin B2
vmhM:ribflv vmhM:ribflv vmhmetabolite:ribflv vmhmetabolite:ribflv AUNGANRZJHBGPY-SCRDCRAPSA-N	Riboflavin 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
CHEBI:17015 chebi:17015 AUNGANRZJHBGPY-SCRDCRAPSA-N	riboflavin 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)pentitol 5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol 6,7-dimethyl-9-D-ribitylisoalloxazine 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)isoalloxazine 7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4(3H,10H)-dione 7,8-dimethyl-10-ribitylisoalloxazine Aqua-Flave Beflavin Beflavine Bisulase Dermadram E101 Fiboflavin Flavaxin Flavin Bb Flaxain Hyflavin Vitamin B2 lactoflavin riboflavin (vit B2) riboflavina riboflavine riboflavinum vitamin B2 vitamin G vitasan B2
metacyc.compound:RIBOFLAVIN metacycM:RIBOFLAVIN AUNGANRZJHBGPY-SCRDCRAPSA-M	riboflavin vitamin B2
hmdb:HMDB00244 chebi:15044 chebi:27299 chebi:45214 chebi:529204 chebi:8843 biggM:M_ribflv keggC:M_C00255 keggD:M_D00050 seedM:M_cpd00220 vmhM:M_ribflv	secondary/obsolete/fantasy identifier