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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:44:41 UTC
HMDB IDHMDB0001557
Secondary Accession Numbers
  • HMDB01557
Metabolite Identification
Common NameRiboflavin reduced
DescriptionRiboflavin reduced, also known as reduced riboflavin, belongs to the class of organic compounds known as alloxazines and isoalloxazines. These are organic compounds comprising the (iso)alloxazine structure (Benzo[g]pteridine-2,4-dione). Riboflavin reduced exists in all living organisms, ranging from bacteria to humans. Riboflavin reduced has been detected, but not quantified in, a few different foods, such as anatidaes (Anatidae), chickens (Gallus gallus), and domestic pigs (Sus scrofa domestica). This could make riboflavin reduced a potential biomarker for the consumption of these foods. Riboflavin reduced is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a small amount of articles have been published on Riboflavin reduced.
Structure
Data?1582752210
Synonyms
ValueSource
4a,5-DihydroriboflavinHMDB
4a,5-DihydroriboflavineHMDB
7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-4a,5-dihydroisoalloxazineHMDB
7,8-Dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-5,10-dihydrobenzo[g]pteridine-2,4(3H,4ah)-dioneHMDB
Reduced riboflavinHMDB
Chemical FormulaC15H16N4O6
Average Molecular Weight348.3107
Monoisotopic Molecular Weight348.106984264
IUPAC Name10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-2H,3H,4H,10H-benzo[g]pteridine-2,4-dione
Traditional Name10-[(2R,3R,4R)-2,3,4,5-tetrahydroxypentyl]-3H-benzo[g]pteridine-2,4-dione
CAS Registry Number101652-10-2
SMILES
OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C12
InChI Identifier
InChI=1S/C15H16N4O6/c20-6-10(22)12(23)9(21)5-19-8-4-2-1-3-7(8)16-11-13(19)17-15(25)18-14(11)24/h1-4,9-10,12,20-23H,5-6H2,(H,18,24,25)/t9-,10-,12-/m1/s1
InChI KeyATANIONNQLTUND-CKYFFXLPSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as alloxazines and isoalloxazines. These are organic compounds comprising the (iso)alloxazine structure (Benzo[g]pteridine-2,4-dione).
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPteridines and derivatives
Sub ClassAlloxazines and isoalloxazines
Direct ParentAlloxazines and isoalloxazines
Alternative Parents
Substituents
  • Isoalloxazine
  • Diazanaphthalene
  • Quinoxaline
  • Pyrimidone
  • Pyrazine
  • Pyrimidine
  • Benzenoid
  • Heteroaromatic compound
  • Vinylogous amide
  • Secondary alcohol
  • Lactam
  • Polyol
  • Azacycle
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Primary alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Disposition

Biological location

Source

Route of exposure

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.48 g/LALOGPS
logP10(-1.6) g/LALOGPS
logP10(-1.9) g/LChemAxon
logS10(-2.9) g/LALOGPS
pKa (Strongest Acidic)5.97ChemAxon
pKa (Strongest Basic)-3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count9ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area155.05 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity86.19 m³·mol⁻¹ChemAxon
Polarizability33.24 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+176.10431661259
DarkChem[M-H]-174.33831661259
AllCCS[M+H]+176.90732859911
AllCCS[M-H]-175.72532859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Riboflavin reducedOC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C124325.7Standard polar33892256
Riboflavin reducedOC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C122433.4Standard non polar33892256
Riboflavin reducedOC[C@@H](O)[C@H](O)[C@H](O)CN1C2=CC=CC=C2N=C2C(=O)NC(=O)N=C123705.9Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Riboflavin reduced,1TMS,isomer #1C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213173.7Semi standard non polar33892256
Riboflavin reduced,1TMS,isomer #2C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213196.0Semi standard non polar33892256
Riboflavin reduced,1TMS,isomer #3C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213174.7Semi standard non polar33892256
Riboflavin reduced,1TMS,isomer #4C[Si](C)(C)O[C@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)[C@@H](O)[C@H](O)CO3172.2Semi standard non polar33892256
Riboflavin reduced,1TMS,isomer #5C[Si](C)(C)N1C(=O)N=C2C(=NC3=CC=CC=C3N2C[C@@H](O)[C@@H](O)[C@H](O)CO)C1=O3287.9Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213087.2Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #10C[Si](C)(C)O[C@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)[C@@H](O)[C@H](O)CO3177.6Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #2C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213063.0Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #3C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3072.8Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #4C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C213182.3Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #5C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213077.1Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #6C[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3092.8Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #7C[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C213195.7Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #8C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3067.0Semi standard non polar33892256
Riboflavin reduced,2TMS,isomer #9C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C213179.6Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213055.3Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #10C[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3128.6Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3058.5Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C213141.9Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #4C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3029.8Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #5C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C213121.2Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #6C[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3134.8Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #7C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3061.0Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #8C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C213135.3Semi standard non polar33892256
Riboflavin reduced,3TMS,isomer #9C[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3149.3Semi standard non polar33892256
Riboflavin reduced,4TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3093.6Semi standard non polar33892256
Riboflavin reduced,4TMS,isomer #2C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C213149.1Semi standard non polar33892256
Riboflavin reduced,4TMS,isomer #3C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3146.7Semi standard non polar33892256
Riboflavin reduced,4TMS,isomer #4C[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3120.6Semi standard non polar33892256
Riboflavin reduced,4TMS,isomer #5C[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3158.0Semi standard non polar33892256
Riboflavin reduced,5TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3199.2Semi standard non polar33892256
Riboflavin reduced,5TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3284.1Standard non polar33892256
Riboflavin reduced,5TMS,isomer #1C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C3822.9Standard polar33892256
Riboflavin reduced,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213389.0Semi standard non polar33892256
Riboflavin reduced,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213389.8Semi standard non polar33892256
Riboflavin reduced,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213368.0Semi standard non polar33892256
Riboflavin reduced,1TBDMS,isomer #4CC(C)(C)[Si](C)(C)O[C@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)[C@@H](O)[C@H](O)CO3381.2Semi standard non polar33892256
Riboflavin reduced,1TBDMS,isomer #5CC(C)(C)[Si](C)(C)N1C(=O)N=C2C(=NC3=CC=CC=C3N2C[C@@H](O)[C@@H](O)[C@H](O)CO)C1=O3493.0Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213468.3Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@H](CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C21)[C@@H](O)[C@H](O)CO3561.4Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213421.6Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3453.2Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C213578.1Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213435.9Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #6CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3449.5Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C213570.0Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3447.9Semi standard non polar33892256
Riboflavin reduced,2TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C213548.0Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C213580.5Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #10CC(C)(C)[Si](C)(C)O[C@@H]([C@H](O)CO)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3694.5Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3591.6Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C213713.5Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3562.4Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C213677.5Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #6CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3702.5Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #7CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3584.5Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #8CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C213693.3Semi standard non polar33892256
Riboflavin reduced,3TBDMS,isomer #9CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3702.9Semi standard non polar33892256
Riboflavin reduced,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CN1C2=NC(=O)[NH]C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3770.9Semi standard non polar33892256
Riboflavin reduced,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C213857.7Semi standard non polar33892256
Riboflavin reduced,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3859.7Semi standard non polar33892256
Riboflavin reduced,4TBDMS,isomer #4CC(C)(C)[Si](C)(C)OC[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3838.0Semi standard non polar33892256
Riboflavin reduced,4TBDMS,isomer #5CC(C)(C)[Si](C)(C)O[C@H](CO)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CN1C2=NC(=O)N([Si](C)(C)C(C)(C)C)C(=O)C2=NC2=CC=CC=C21)O[Si](C)(C)C(C)(C)C3857.6Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Riboflavin reduced GC-MS (Non-derivatized) - 70eV, Positivesplash10-0bwi-8094000000-f43f7112ee283826153b2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Riboflavin reduced GC-MS (4 TMS) - 70eV, Positivesplash10-00di-3042269000-7f5ae8c8ce0af8c53f552017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Riboflavin reduced GC-MS (TBDMS_3_7) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Riboflavin reduced GC-MS (TBDMS_4_1) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Riboflavin reduced GC-MS (TBDMS_4_5) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Riboflavin reduced GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Riboflavin reduced GC-MS ("Riboflavin reduced,3TBDMS,#7" TMS) - 70eV, PositiveNot Available2021-10-14Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 10V, Positive-QTOFsplash10-000t-0029000000-bc104c9d050e033b69d42017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 20V, Positive-QTOFsplash10-01t9-4091000000-afc0f707ee1ce75b867c2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 40V, Positive-QTOFsplash10-004i-2190000000-570c6cbcf04a46a68c762017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 10V, Negative-QTOFsplash10-0udl-4097000000-b676ae8b47eab2fb18c72017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 20V, Negative-QTOFsplash10-0006-9000000000-f5254591b51a0d8467652017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 40V, Negative-QTOFsplash10-0006-9010000000-0abc9b0d47dd58c290bd2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 10V, Positive-QTOFsplash10-0002-0029000000-01cbdc02a72aeccc62232021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 20V, Positive-QTOFsplash10-01ta-0098000000-708769959f1af25b7e782021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 40V, Positive-QTOFsplash10-00b9-0590000000-bc32c00ac0788074d2562021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 10V, Negative-QTOFsplash10-004i-0092000000-f9ec2194483db51c84102021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 20V, Negative-QTOFsplash10-03fr-1090000000-71092bfa8904438a88ac2021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Riboflavin reduced 40V, Negative-QTOFsplash10-0ffx-6590000000-eca89bd048fc24f150a82021-09-25Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112174
KNApSAcK IDNot Available
Chemspider ID17216138
KEGG Compound IDC01007
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN ID6322
PubChem Compound22833571
PDB IDNot Available
ChEBI ID169293
Food Biomarker OntologyNot Available
VMH IDRBFLVRD
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in catalytic activity
Specific function:
Broad specificity oxidoreductase that catalyzes the NADPH-dependent reduction of a variety of flavins, such as riboflavin, FAD or FMN, biliverdins, methemoglobin and PQQ (pyrroloquinoline quinone). Contributes to heme catabolism and metabolizes linear tetrapyrroles. Can also reduce the complexed Fe(3+) iron to Fe(2+) in the presence of FMN and NADPH. In the liver, converts biliverdin to bilirubin.
Gene Name:
BLVRB
Uniprot ID:
P30043
Molecular weight:
22119.215
Reactions
Riboflavin reduced + NADP → Riboflavin + NADPHdetails
Riboflavin reduced + NADP → Riboflavin + NADPH + Hydrogen Iondetails