| Common Name |
Methionine slifoximine
| Description |
Methionine slifoximine is found in flours treated with NCl3 as a produced of NCl3 action on wheat proteinsMethionine slifoximine belongs to the family of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon)[1]. (Reference: [1] Amino Acid: http://en.wikipedia.org/wiki/Amino_acid).
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29430 (Methionine slifoximine)
| Synonyms |
| Value |
Source |
2-amino-4-(S-Methylsliphonimidoyl)butyric acidChEBI
2-amino-4-(S-Methylslifonimidoyl)butyrateGenerator
2-amino-4-(S-Methylslifonimidoyl)butyric acidGenerator
2-amino-4-(S-Methylsliphonimidoyl)butyrateGenerator
Methionine sliphoximineGenerator
2-amino-4-(S-Methylslifonimidoyl)-butanoic acidHMDB
2-amino-4-(S-Methylslifonimidoyl)butanoic acidHMDB
Butanoic acid, 2-amino-4-(S-methylslifonimidoyl)- (9ci)HMDB
DL-(3-amino-3-Carboxypropyl) methyl slifoximineHMDB
DL-Methionine DL-slifoximineHMDB
DL-Methionine slifoximineHMDB
DL-Methionine-DL-slifoximineHMDB
L -S-(3-amino-3-Carboxypropyl)-S-methylslifoximineHMDB
L-Methionine slifoximineHMDB
L-Methionine-RS-slifoximineHMDB
Methionine analogHMDB
S-(3-amino-3-Carboxypropyl)-S-methyl-DL-slifoximineHMDB
S-(3-amino-3-Carboxypropyl)-S-methylslifoximine, 9ciHMDB
| Chemical Formlia |
C5H12N2O3S
| Average Molecliar Weight |
180.225
| Monoisotopic Molecliar Weight |
180.05686295
| IUPAC Name |
2-amino-4-[imino(methyl)oxo-λ⁶-slifanyl]butanoic acid
| Traditional Name |
methionine slifoximine
| CAS Registry Number |
1982-67-8
| SMILES |
CS(=N)(=O)CCC(N)C(O)=O
| InChI Identifier |
InChI=1S/C5H12N2O3S/c1-11(7,10)3-2-4(6)5(8)9/h4,7H,2-3,6H2,1H3,(H,8,9)
| InChI Key |
SXTAYKAGBXMACB-UHFFFAOYSA-N
| Chemical Taxonomy |
| Classification |
Not classified
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility7.39 mg/mLALOGPS
logP-3ALOGPS
logP-4.4ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.89ChemAxon
pKa (Strongest Basic)9.09ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area104.24 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity40.22 m3·mol-1ChemAxon
Polarizability17.31 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000532
| KNApSAcK ID |
Not Available
| Chemspider ID |
15302
| KEGG Compound ID |
C03510
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29430
| Metagene Link |
HMDB29430
| METLIN ID |
Not Available
| PubChem Compound |
16118
| PDB ID |
Not Available
| ChEBI ID |
47833
Product: NS-018 (maleate)
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 10963747
