BTQ

EPI-BIOTIN

Created: 2005-11-17
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count3
Bond Count33
Aromatic Bond Count0
2D diagram of BTQ
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Chemical Component Summary

NameEPI-BIOTIN
Synonyms5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
Systematic Name (OpenEye OEToolkits)5-[(3aS,4R,6aR)-2-oxo-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
SMILESACDLabs10.04O=C1NC2C(SCC2N1)CCCCC(=O)O
SMILESCACTVS3.341OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12
SMILESOpenEye OEToolkits1.5.0C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2
Canonical SMILESCACTVS3.341 OC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12
Canonical SMILESOpenEye OEToolkits1.5.0 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-OOZYFLPDSA-N

Drug Info: DrugBank

DrugBank IDDB04650 
Name5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
Groups experimental
Synonyms5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID

Drug Targets

NameTarget SequencePharmacological ActionActions
StreptavidinMRKIVVAAIAVSLTTVSITASASADPSKDSKAQVSAAEAGITGTWYNQLG...unknown
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 638035