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riboflavin(1-)

	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	Cc1cc2nc3c(=O)[n-]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C

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])[nH:20][c:16](=[O:26])[c:13]-1[n:18]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	601
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-) 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 riboflavin anion 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
vmhM:ribflv vmhM:ribflv vmhmetabolite:ribflv vmhmetabolite:ribflv 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 Alcohol intoxication Anorexia Beautification product Beflavin Beflavine Benzo[g]pteridine riboflavin deriv. Bisulase Coffee Coffee bean Csf Cucurbits Cytoplasma Digestion Extracellular region FOOD Yellow 15 Faecal Faeces Fauna Fecal Flavaxin Flavin BB Flaxain Flora Gi tract Gourds Gramineae Hyre Kidneys Lactobene Lactoflavin Lactoflavine Legume Papilionoideae Pcp Personal hygiene Prostate gland RIBOFLAVINE Ribipca Ribocrisina Riboderm Riboflavina Riboflavinum Ribosyn Ribotone Ribovel Russupteridine yellow III San yellow b Soy Soya Soya bean Soybean Stool Toiletries Toiletry Vitaflavine Vitamin b 2 Vitamin b2 Vitamin g Vitasan b2 e 101 e101
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
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