MiMeDB: Showing metabocard for Lanthionine (MMDBc0000766)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2020-12-10 18:54:29 UTC

Update Date

2022-08-31 06:12:08 UTC

Metabolite ID

MMDBc0000766

Metabolite Identification

Common Name

Lanthionine

Description

Lanthionine belongs to the class of organic compounds known as L-cysteine-S-conjugates. These are compounds containing L-cysteine where the thio-group is conjugated. Lanthionine is a uremic toxin (PMID: 30087103 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₆H₁₂N₂O₄S

Average Mass

208.23

Monoisotopic Mass

208.051778048

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1

InChI Key

DWPCPZJAHOETAG-IMJSIDKUSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

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

Blood
Urine

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
MMDBp0192186	Cystathionine gamma-lyase	Enzyme	P32929	Homo_sapiens
MMDBp0196724	Thiomorpholine-carboxylate dehydrogenase	Unknown	Q14894
MMDBp0197062	Ketimine reductase mu-crystallin	Unknown	Q28488	Macropus fuliginosus

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
Bacteria	Firmicutes	1		Indirect association between microbiota composition and metabolites measured in host biospecimen

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
Human Urine	Detected but not Quantified						Adult (>18 years old)	Both	Normal	HMDB	30087103
Human	Detected but not Quantified									HMDB

External Links

Not Available

General References

Mair RD, Sirich TL, Plummer NS, Meyer TW: Characteristics of Colon-Derived Uremic Solutes. Clin J Am Soc Nephrol. 2018 Sep 7;13(9):1398-1404. doi: 10.2215/CJN.03150318. Epub 2018 Aug 7. [PubMed:30087103 ]

Showing metabocard for Lanthionine (MMDBc0000766)

MOL for #<Metabolite:0x0000560be1e5add8>

3D MOL for #<Metabolite:0x0000560be1e5add8>

3D SDF for #<Metabolite:0x0000560be1e5add8>

3D-SDF for #<Metabolite:0x0000560be1e5add8>

PDB for #<Metabolite:0x0000560be1e5add8>

3D PDB for #<Metabolite:0x0000560be1e5add8>

SMILES for #<Metabolite:0x0000560be1e5add8>

INCHI for #<Metabolite:0x0000560be1e5add8>

Structure for #<Metabolite:0x0000560be1e5add8>

3D Structure for #<Metabolite:0x0000560be1e5add8>