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Showing metabocard for N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine (HMDB0341492)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2023-03-30 18:45:41 UTC
Update Date2023-03-30 18:45:41 UTC
HMDB IDHMDB0341492
Secondary Accession NumbersNone
Metabolite Identification
Common NameN-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine
DescriptionN-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine is a N-acyl-amino acid.
Structure
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MOLSDFPDBSMILESInChI

MOL for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)

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3D MOL for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)
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3D SDF for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)
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3D-SDF for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)
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PDB for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)
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3D PDB for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)
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SMILES for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)
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INCHI for HMDB0341492 (N-Acetyl-S-(4-hydroxy-2-butenyl)-L-cysteine)
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View in JSmolView Stereo Labels
SynonymsNot Available
Chemical FormulaC9H15NO4S
Average Molecular Weight233.28
Monoisotopic Molecular Weight233.072179141
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
Not Available
InChI KeyCGYFKBWVTSXRDZ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Ontology
Not AvailableNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular PropertiesNot Available
Predicted Chromatographic Properties
Predicted Retention Times 
Not Available
Predicted Kovats Retention Indices
Not Available
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
External LinksNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available