BTN

BIOTIN

Created: 1999-07-08
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count3
Bond Count33
Aromatic Bond Count0
2D diagram of BTN

Chemical Component Summary

NameBIOTIN
Systematic Name (OpenEye OEToolkits)5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid
FormulaC10 H16 N2 O3 S
Molecular Weight244.311
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C1NC2C(SCC2N1)CCCCC(=O)O
SMILESCACTVS3.385OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
SMILESOpenEye OEToolkits1.7.6C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
Canonical SMILESCACTVS3.385 OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12
Canonical SMILESOpenEye OEToolkits1.7.6 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)O)NC(=O)N2
InChIInChI1.03 InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1
InChIKeyInChI1.03 YBJHBAHKTGYVGT-ZKWXMUAHSA-N

Drug Info: DrugBank

DrugBank IDDB00121 
NameBiotin
Groups
  • approved
  • investigational
  • nutraceutical
DescriptionA water-soluble, enzyme co-factor present in minute amounts in every living cell. It occurs mainly bound to proteins or polypeptides and is abundant in liver, kidney, pancreas, yeast, and milk.
Synonyms
  • (+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid
  • Coenzyme R
  • cis-Tetrahydro-2-oxothieno(3,4-d)imidazoline-4-valeric acid
  • Vitamin H
  • Biotine
Brand Names
  • Biotin Ctr Srt 1000mcg
  • Super Pantoplex
  • Livita Adults
  • Twin Ultra Liquid Orange Flavor
  • KeyFolic
IndicationFor nutritional supplementation, also for treating dietary shortage or imbalance.
Categories
  • Alimentary Tract and Metabolism
  • Coenzymes
  • Diet, Food, and Nutrition
  • Dietary Supplements
  • Enzymes and Coenzymes
ATC-CodeA11HA05
CAS number58-85-5

Drug Targets

NameTarget SequencePharmacological ActionActions
Propionyl-CoA carboxylase beta chain, mitochondrialMAAALRVAAVGARLSVLASGLRAAVRSLCSQATSVNERIENKRRTALLGG...unknowncofactor
Biotin--protein ligaseMEDRLHMDNGLVPQKIVSVHLQDSTLKEVKDQVSNKQAQILEPKPEPSLE...unknownsubstrate
Methylcrotonoyl-CoA carboxylase beta chain, mitochondrialMWAVLRLALRPCARASPAGPRAYHGDSVASLGTQPDLGSALYQENYKQMK...unknowncofactor
Acetyl-CoA carboxylase 2MVLLLCLSCLIFSCLTFSWLKIWGKMTDSKPITKSKSEANLIPSQEPFPA...unknowncofactor
Methylcrotonoyl-CoA carboxylase subunit alpha, mitochondrialMAAASAVSVLLVAAERNRWHRLPSLLLPPRTWVWRQRTMKYTTATGRNIT...unknowncofactor
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 171548
ChEMBL CHEMBL857
ChEBI CHEBI:15956
CCDC/CSD BIOTIN12, BIOTIN10, BIOTIN01