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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2005-11-16 15:48:42 UTC
Update Date2021-09-14 15:40:03 UTC
HMDB IDHMDB0001458
Secondary Accession Numbers
  • HMDB01458
Metabolite Identification
Common NameBiotin amide
DescriptionThe enzyme biotinidase (EC-Number 3.5.1.12 ) is involved in the recycling of the vitamin biotin, cleaving D-biotinylamides and esters, in a reaction including biotin amide and water. (PMID 1719240 , 171927 ). Late-onset multiple carboxylase deficiency (MCD) with biotinidase deficiency is caused by mutation in the biotinidase gene. MCD is an autosomal recessive metabolic disorder characterized primarily by cutaneous and neurologic abnormalities. Symptoms result from the patient's inability to reutilize biotin, a necessary nutrient. (OMIM 253260 ).
Structure
Data?1582752203
Synonyms
ValueSource
5-[(3AS,6R,6ar)-2-hydroxy-1H,3ah,4H,6H,6ah-thieno[3,4-D]imidazol-6-yl]pentanimidateGenerator, HMDB
Chemical FormulaC10H17N3O2S
Average Molecular Weight243.326
Monoisotopic Molecular Weight243.104147493
IUPAC Name5-[(3aR,4R,6aS)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl]pentanamide
Traditional Name5-[(3aR,4R,6aS)-2-oxo-hexahydrothieno[3,4-d]imidazolidin-4-yl]pentanamide
CAS Registry Number6929-42-6
SMILES
[H][C@@]12CS[C@H](CCCCC(N)=O)[C@]1([H])NC(=O)N2
InChI Identifier
InChI=1S/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)/t6-,7-,9-/m1/s1
InChI KeyXFLVBMBRLSCJAI-ZXFLCMHBSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as biotin and derivatives. These are organic compounds containing a ureido (tetrahydroimidizalone) ring fused with a tetrahydrothiophene ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassBiotin and derivatives
Sub ClassNot Available
Direct ParentBiotin and derivatives
Alternative Parents
Substituents
  • Biotin_derivative
  • Thienoimidazolidine
  • Fatty amide
  • Imidazolidinone
  • Fatty acyl
  • Thiophene
  • Thiolane
  • Imidazolidine
  • Carboxamide group
  • Urea
  • Primary carboxylic acid amide
  • Carbonic acid derivative
  • Azacycle
  • Dialkylthioether
  • Thioether
  • Carboxylic acid derivative
  • Organopnictogen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Carbonyl group
  • Hydrocarbon derivative
  • Organic oxide
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
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 Solubility1.81 g/LALOGPS
logP-0.2ALOGPS
logP-0.49ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)13.6ChemAxon
pKa (Strongest Basic)-0.56ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area84.22 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity61.87 m³·mol⁻¹ChemAxon
Polarizability25.4 ųChemAxon
Number of Rings2ChemAxon
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]+157.38931661259
DarkChem[M-H]-154.18431661259
AllCCS[M+H]+154.48932859911
AllCCS[M-H]-159.09632859911
DeepCCS[M-2H]-188.66630932474
DeepCCS[M+Na]+163.67330932474
AllCCS[M+H]+154.532859911
AllCCS[M+H-H2O]+151.032859911
AllCCS[M+NH4]+157.832859911
AllCCS[M+Na]+158.732859911
AllCCS[M-H]-159.132859911
AllCCS[M+Na-2H]-159.432859911
AllCCS[M+HCOO]-159.832859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Biotin amide[H][C@@]12CS[C@H](CCCCC(N)=O)[C@]1([H])NC(=O)N23723.7Standard polar33892256
Biotin amide[H][C@@]12CS[C@H](CCCCC(N)=O)[C@]1([H])NC(=O)N22330.0Standard non polar33892256
Biotin amide[H][C@@]12CS[C@H](CCCCC(N)=O)[C@]1([H])NC(=O)N22746.5Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Biotin amide,1TMS,isomer #1C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]212678.1Semi standard non polar33892256
Biotin amide,1TMS,isomer #1C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]212414.0Standard non polar33892256
Biotin amide,1TMS,isomer #1C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]215330.2Standard polar33892256
Biotin amide,1TMS,isomer #2C[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(N)=O)[C@@H]212679.6Semi standard non polar33892256
Biotin amide,1TMS,isomer #2C[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(N)=O)[C@@H]212321.8Standard non polar33892256
Biotin amide,1TMS,isomer #2C[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(N)=O)[C@@H]214529.4Standard polar33892256
Biotin amide,1TMS,isomer #3C[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O2676.1Semi standard non polar33892256
Biotin amide,1TMS,isomer #3C[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O2351.0Standard non polar33892256
Biotin amide,1TMS,isomer #3C[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O4498.1Standard polar33892256
Biotin amide,2TMS,isomer #1C[Si](C)(C)N(C(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)[Si](C)(C)C2813.3Semi standard non polar33892256
Biotin amide,2TMS,isomer #1C[Si](C)(C)N(C(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)[Si](C)(C)C2554.2Standard non polar33892256
Biotin amide,2TMS,isomer #1C[Si](C)(C)N(C(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)[Si](C)(C)C5062.5Standard polar33892256
Biotin amide,2TMS,isomer #2C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2[Si](C)(C)C2736.9Semi standard non polar33892256
Biotin amide,2TMS,isomer #2C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2[Si](C)(C)C2439.3Standard non polar33892256
Biotin amide,2TMS,isomer #2C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2[Si](C)(C)C4423.5Standard polar33892256
Biotin amide,2TMS,isomer #3C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N([Si](C)(C)C)[C@H]212719.8Semi standard non polar33892256
Biotin amide,2TMS,isomer #3C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N([Si](C)(C)C)[C@H]212428.0Standard non polar33892256
Biotin amide,2TMS,isomer #3C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N([Si](C)(C)C)[C@H]214474.8Standard polar33892256
Biotin amide,2TMS,isomer #4C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O2597.0Semi standard non polar33892256
Biotin amide,2TMS,isomer #4C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O2380.6Standard non polar33892256
Biotin amide,2TMS,isomer #4C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O3728.7Standard polar33892256
Biotin amide,3TMS,isomer #1C[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C2805.6Semi standard non polar33892256
Biotin amide,3TMS,isomer #1C[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C2564.1Standard non polar33892256
Biotin amide,3TMS,isomer #1C[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C4194.8Standard polar33892256
Biotin amide,3TMS,isomer #2C[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]212779.2Semi standard non polar33892256
Biotin amide,3TMS,isomer #2C[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]212559.3Standard non polar33892256
Biotin amide,3TMS,isomer #2C[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C)[C@@H]214255.1Standard polar33892256
Biotin amide,3TMS,isomer #3C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C2586.9Semi standard non polar33892256
Biotin amide,3TMS,isomer #3C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C2513.6Standard non polar33892256
Biotin amide,3TMS,isomer #3C[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1N([Si](C)(C)C)C(=O)N2[Si](C)(C)C3230.5Standard polar33892256
Biotin amide,4TMS,isomer #1C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C2636.3Semi standard non polar33892256
Biotin amide,4TMS,isomer #1C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C2629.9Standard non polar33892256
Biotin amide,4TMS,isomer #1C[Si](C)(C)N1C(=O)N([Si](C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C)[Si](C)(C)C3011.7Standard polar33892256
Biotin amide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]212904.1Semi standard non polar33892256
Biotin amide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]212667.1Standard non polar33892256
Biotin amide,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]215098.3Standard polar33892256
Biotin amide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(N)=O)[C@@H]212912.1Semi standard non polar33892256
Biotin amide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(N)=O)[C@@H]212587.7Standard non polar33892256
Biotin amide,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(N)=O)[C@@H]214459.5Standard polar33892256
Biotin amide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O2904.3Semi standard non polar33892256
Biotin amide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O2612.8Standard non polar33892256
Biotin amide,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O4445.1Standard polar33892256
Biotin amide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)[Si](C)(C)C(C)(C)C3198.7Semi standard non polar33892256
Biotin amide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)[Si](C)(C)C(C)(C)C3008.3Standard non polar33892256
Biotin amide,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(C(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21)[Si](C)(C)C(C)(C)C4796.0Standard polar33892256
Biotin amide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2[Si](C)(C)C(C)(C)C3201.5Semi standard non polar33892256
Biotin amide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2[Si](C)(C)C(C)(C)C2908.8Standard non polar33892256
Biotin amide,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1NC(=O)N2[Si](C)(C)C(C)(C)C4165.1Standard polar33892256
Biotin amide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]213188.5Semi standard non polar33892256
Biotin amide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]212896.8Standard non polar33892256
Biotin amide,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N([Si](C)(C)C(C)(C)C)[C@H]214186.3Standard polar33892256
Biotin amide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O3028.0Semi standard non polar33892256
Biotin amide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O2902.8Standard non polar33892256
Biotin amide,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(N)=O3622.1Standard polar33892256
Biotin amide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3438.3Semi standard non polar33892256
Biotin amide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3210.9Standard non polar33892256
Biotin amide,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3974.6Standard polar33892256
Biotin amide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]213423.4Semi standard non polar33892256
Biotin amide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]213202.3Standard non polar33892256
Biotin amide,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)N1C(=O)N[C@@H]2CS[C@H](CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[C@@H]213983.6Standard polar33892256
Biotin amide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C3231.8Semi standard non polar33892256
Biotin amide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C3174.8Standard non polar33892256
Biotin amide,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NC(=O)CCCC[C@H]1SC[C@@H]2[C@H]1N([Si](C)(C)C(C)(C)C)C(=O)N2[Si](C)(C)C(C)(C)C3252.1Standard polar33892256
Biotin amide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3474.1Semi standard non polar33892256
Biotin amide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3445.4Standard non polar33892256
Biotin amide,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N1C(=O)N([Si](C)(C)C(C)(C)C)[C@@H]2[C@H]1CS[C@@H]2CCCCC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3193.2Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Biotin amide GC-MS (Non-derivatized) - 70eV, Positivesplash10-0005-9520000000-51917f0c6418688ca18f2017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Biotin amide GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 10V, Positive-QTOFsplash10-004l-0090000000-ee632e902d02574234fa2017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 20V, Positive-QTOFsplash10-004i-1490000000-e498ef37a7c5e97706422017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 40V, Positive-QTOFsplash10-053v-9600000000-f999e8de54094b58e1652017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 10V, Negative-QTOFsplash10-0006-0190000000-43c6964de1c7149ffeb32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 20V, Negative-QTOFsplash10-0007-6950000000-055ec27fc755f5f53db32017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 40V, Negative-QTOFsplash10-0006-9000000000-37240324d52248632db02017-09-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 10V, Positive-QTOFsplash10-004l-0090000000-4be63d0dd445aeb873502021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 20V, Positive-QTOFsplash10-004i-0190000000-5972c30db84501e53f2f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 40V, Positive-QTOFsplash10-052b-9710000000-b93562f16b5a93447a6f2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 10V, Negative-QTOFsplash10-0006-0090000000-3c9d51b95e146c9f98a52021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 20V, Negative-QTOFsplash10-0006-2790000000-d7b050a5a96ddf9601592021-09-25Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Biotin amide 40V, Negative-QTOFsplash10-0006-9300000000-40d0fc7b0203b8ff84172021-09-25Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart 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 IDFDB022636
KNApSAcK IDNot Available
Chemspider ID388677
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound439597
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceTsuboi, Toshinori; Akagi, Chihiro; Yoshimura, Yoshio; Shoji, Osamu. Microbial preparation of biotinamide. Jpn. Tokkyo Koho (1971), 4 pp.
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Yoshimoto K, Rosenfeld S, Frickhofen N, Kennedy D, Hills R, Kajigaya S, Young NS: A second neutralizing epitope of B19 parvovirus implicates the spike region in the immune response. J Virol. 1991 Dec;65(12):7056-60. [PubMed:1719240 ]
  2. Marsh JM: The role of cyclic AMP in gonadal function. Adv Cyclic Nucleotide Res. 1975;6:137-99. [PubMed:171927 ]

Enzymes

General function:
Involved in hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
Specific function:
Catalytic release of biotin from biocytin, the product of biotin-dependent carboxylases degradation.
Gene Name:
BTD
Uniprot ID:
P43251
Molecular weight:
61132.43
Reactions
Biotin amide + Water → Biotin + Ammoniadetails