HSO

L-histidinol

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

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Chemical Details

Formal Charge1
Atom Count22
Chiral Atom Count1
Bond Count22
Aromatic Bond Count5
2D diagram of HSO

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Toggle HydrogenToggle Labels

Chemical Component Summary

NameL-histidinol
Systematic Name (OpenEye OEToolkits)(2S)-2-azanyl-3-(1H-imidazol-3-ium-4-yl)propan-1-ol
FormulaC6 H12 N3 O
Molecular Weight142.179
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01NC(CO)Cc1[nH+]cnc1
SMILESCACTVS3.385N[CH](CO)Cc1c[nH]c[nH+]1
SMILESOpenEye OEToolkits1.7.6c1c([nH+]c[nH]1)CC(CO)N
Canonical SMILESCACTVS3.385 N[C@H](CO)Cc1c[nH]c[nH+]1
Canonical SMILESOpenEye OEToolkits1.7.6 c1c([nH+]c[nH]1)C[C@@H](CO)N
InChIInChI1.03 InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyInChI1.03 ZQISRDCJNBUVMM-YFKPBYRVSA-O

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB03811 
NameHistidinol
Groups experimental
SynonymsHistidinol
Categories
  • Alcohols
  • Amines
  • Amino Alcohols
  • Imidazoles
  • Propanolamines

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Histidinol dehydrogenaseMSFNTIIDWNSCTAEQQRQLLMRPAISASESITRTVNDILDNVKARGDEA...unknown
Histidine--tRNA ligaseMAKNIQAIRGMNDYLPGETAIWQRIEGTLKNVLGSYGYSEIRLPIVEQTP...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 6950298, 137349533
ChEBI CHEBI:57699