MiMeDB: Showing metabocard for L-Methionine sulfoximine (MMDBc0057120)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2022-10-17 17:54:39 UTC

Update Date

2022-10-17 17:54:39 UTC

Metabolite ID

MMDBc0057120

Metabolite Identification

Common Name

L-Methionine sulfoximine

Description

L-Methionine sulfoximine belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom. Based on a literature review a significant number of articles have been published on L-Methionine sulfoximine.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoic acid	Kegg
(2S)-2-Amino-4-(S-methylsufonimidoyl)-butanoate	Generator
L-Methionine sulphoximine	Generator

Molecular Formula

C₅H₁₂N₂O₃S

Average Mass

180.22

Monoisotopic Mass

180.056863428

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

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)/t4-,11?/m0/s1

InChI Key

SXTAYKAGBXMACB-DPVSGNNYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

L-alpha-amino acids

Alternative Parents

Substituents

L-alpha-amino acid
Thia fatty acid
Fatty acid
Fatty acyl
Carbo-azosulfone
Amino acid
Carboxylic acid
Monocarboxylic acid or derivatives
Organopnictogen compound
Organic oxygen compound
Organic nitrogen compound
Primary amine
Organosulfur compound
Organooxygen compound
Organonitrogen compound
Amine
Primary aliphatic amine
Carbonyl group
Organic oxide
Hydrocarbon derivative
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

non-proteinogenic L-alpha-amino acid (CHEBI:28490 )
L-methionine derivative (CHEBI:28490 )
methionine sulfoximine (CHEBI:28490 )

Functional Ontology

Not Available

Physical Properties

State

Not Available

Predicted Properties

Not Available

Spectra

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

80339

KEGG Compound ID

C03510

BioCyc ID

CPD-9035

BiGG ID

Not Available

Wikipedia Link

Methionine sulfoximine

METLIN ID

Not Available

PubChem Compound

89034

PDB ID

Not Available

ChEBI ID

28490

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for L-Methionine sulfoximine (MMDBc0057120)

MOL for #<Metabolite:0x00007f121801e5d8>

3D MOL for #<Metabolite:0x00007f121801e5d8>

3D SDF for #<Metabolite:0x00007f121801e5d8>

3D-SDF for #<Metabolite:0x00007f121801e5d8>

PDB for #<Metabolite:0x00007f121801e5d8>

3D PDB for #<Metabolite:0x00007f121801e5d8>

SMILES for #<Metabolite:0x00007f121801e5d8>

INCHI for #<Metabolite:0x00007f121801e5d8>

Structure for #<Metabolite:0x00007f121801e5d8>

3D Structure for #<Metabolite:0x00007f121801e5d8>