SHM

HOMOBIOTIN

Created: 2002-04-10
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count35
Chiral Atom Count3
Bond Count36
Aromatic Bond Count0
2D diagram of SHM
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Chemical Component Summary

NameHOMOBIOTIN
Synonyms6-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-HEXANOIC ACID
Systematic Name (OpenEye OEToolkits)6-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-6-yl]hexanoic acid
FormulaC11 H18 N2 O3 S
Molecular Weight258.337
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NC2C(SCC2N1)CCCCCC(=O)O
SMILESCACTVS3.341OC(=O)CCCCC[CH]1SC[CH]2NC(=O)N[CH]12
SMILESOpenEye OEToolkits1.5.0C1C2C(C(S1)CCCCCC(=O)O)NC(=O)N2
Canonical SMILESCACTVS3.341 OC(=O)CCCCC[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)CCCCCC(=O)O)NC(=O)N2
InChIInChI1.03 InChI=1S/C11H18N2O3S/c14-9(15)5-3-1-2-4-8-10-7(6-17-8)12-11(16)13-10/h7-8,10H,1-6H2,(H,14,15)(H2,12,13,16)/t7-,8-,10-/m0/s1
InChIKeyInChI1.03 CUIOUBJXOZHWNJ-NRPADANISA-N

Drug Info: DrugBank

DrugBank IDDB03112 
Name6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic Acid
Groups experimental
Synonyms6-(2-Oxo-Hexahydro-Thieno[3,4-D]Imidazol-4-Yl)-Hexanoic 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 446904