CY4

S-BUTYRYL-CYSTEIN

Created:2002-07-10
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count25
Chiral Atom Count1
Bond Count24
Aromatic Bond Count0
2D diagram of CY4
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Chemical Component Summary

NameS-BUTYRYL-CYSTEIN
Systematic Name (OpenEye OEToolkits)(2R)-2-amino-3-butanoylsulfanyl-propanoic acid
FormulaC7 H13 N O3 S
Molecular Weight191.248
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CSC(=O)CCC
SMILESCACTVS3.341CCCC(=O)SC[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0CCCC(=O)SCC(C(=O)O)N
Canonical SMILESCACTVS3.341 CCCC(=O)SC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 CCCC(=O)SC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C7H13NO3S/c1-2-3-6(9)12-4-5(8)7(10)11/h5H,2-4,8H2,1H3,(H,10,11)/t5-/m0/s1
InChIKeyInChI1.03 QARMATOLSBVIJD-YFKPBYRVSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
DrugBank IDDB02160 
NameS-Butyryl-Cystein
Groups experimental
SynonymsS-Butyryl-Cystein

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
NameTarget SequencePharmacological ActionActions
Acetyl-CoA acetyltransferaseMSTPSIVIASARTAVGSFNGAFANTPAHELGATVISAVLERAGVAAGEVN...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 17753929