MiMeDB: Showing metabocard for S-Methyl-5-thio-alpha-D-ribose 1-phosphate (MMDBc0033189)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 04:38:22 UTC

Update Date

2024-04-30 20:02:40 UTC

Metabolite ID

MMDBc0033189

Metabolite Identification

Common Name

S-Methyl-5-thio-alpha-D-ribose 1-phosphate

Description

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
5-S-Methyl-1-O-phosphono-5-thio-alpha-D-ribofuranose	ChEBI
S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphate	ChEBI
S-Methyl-5-thio-D-ribose 1-phosphate	ChEBI
5-S-Methyl-1-O-phosphono-5-thio-a-D-ribofuranose	Generator
5-S-Methyl-1-O-phosphono-5-thio-α-D-ribofuranose	Generator
S-Methyl-5-thio-5-deoxy-D-ribose 1-phosphoric acid	Generator
S-Methyl-5-thio-D-ribose 1-phosphoric acid	Generator
S-Methyl-5-thio-a-D-ribose 1-phosphate	Generator
S-Methyl-5-thio-a-D-ribose 1-phosphoric acid	Generator
S-Methyl-5-thio-alpha-D-ribose 1-phosphoric acid	Generator
S-Methyl-5-thio-α-D-ribose 1-phosphate	Generator
S-Methyl-5-thio-α-D-ribose 1-phosphoric acid	Generator
S-Methyl-5-thio-alpha-D-ribose 1-phosphate	HMDB
1-PMTR	HMDB
1-Phospho-5-S-methylthio-alpha-D-ribofuranoside	HMDB
1-Phospho-5-S-methylthio-α-D-ribofuranoside	HMDB
1-Phospho-5-S-methylthioribose	HMDB
1-Phosphomethylthioribose	HMDB
5-Methylthio-D-ribose-1-phosphate	HMDB
5-Methylthioribose 1-phosphate	HMDB
5-Methylthioribose-1-phosphate	HMDB

Molecular Formula

C₆H₁₃O₇PS

Average Mass

260.202

Monoisotopic Mass

260.011959972

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)/t3-,4-,5-,6-/m1/s1

InChI Key

JTFITTQBRJDSTL-KVTDHHQDSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pentoses. These are monosaccharides in which the carbohydrate moiety contains five carbon atoms.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Pentoses

Alternative Parents

Substituents

Pentose monosaccharide
Monoalkyl phosphate
Organic phosphoric acid derivative
Phosphoric acid ester
Alkyl phosphate
Tetrahydrofuran
1,2-diol
Secondary alcohol
Oxacycle
Organoheterocyclic compound
Dialkylthioether
Sulfenyl compound
Thioether
Organic oxide
Alcohol
Hydrocarbon derivative
Organosulfur compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

ribose monophosphate (CHEBI:27859 )
thioribose phosphate (CHEBI:27859 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

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
MMDBp0192064	S-methyl-5'-thioadenosine phosphorylase	Enzyme	Q13126	Homo sapiens
MMDBp0196894	Methylthioribose-1-phosphate isomerase	Unknown	Q9BV20

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

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
Eukaryota/Fungi	Ascomycota	56	Human feces; Human saliva	Unknown
Bacteria	Firmicutes	142	Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human ; Human subgingival plaque; Human saliva	Metabolic reconstruction
Bacteria	Actinobacteria	22	Human feces; Human ; Cattle	Metabolic reconstruction
Bacteria	Synergistetes	2	Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	16	Human feces; Human	Metabolic reconstruction
Bacteria	Proteobacteria	165	Human feces; Human stool; Human ; Sheep ; Human sputum; Human subgingival plaque	Metabolic reconstruction
Bacteria	Spirochaetes	8	Human feces; Human	Metabolic reconstruction
Archaea	Thaumarchaeota	1		Metabolic reconstruction
Bacteria	Fusobacteria	8	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5		Metabolic reconstruction
Bacteria	Candidatus melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1		Metabolic reconstruction
Archaea/Archaea	Crenarchaeota	5		Metabolic reconstruction
Bacteria	Chloroflexi	8
Eukaryota/Fungi	Basidiomycota	7
Bacteria	Cyanobacteria	17	Human
Bacteria	Acidobacteria	2
Archaea/Archaea	Thaumarchaeota	2		Metabolic reconstruction
Archaea/Archaea	Euryarchaeota	10		Metabolic reconstruction
Bacteria	nah	3
Bacteria	Aquificae	3
Bacteria	Deinococcus-thermus	3
Bacteria	Chlorobi	1
Bacteria	Thermotogae	9
Bacteria	Gemmatimonadetes	1
Bacteria	Nitrospirae	1

Exposure Sources

Source Type	Source Sub-type	Species	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

HMDB0000963

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB022341

KNApSAcK ID

Not Available

Chemspider ID

10160733

KEGG Compound ID

C04188

BioCyc ID

CPD-444

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11988266

PDB ID

Not Available

ChEBI ID

27859

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Gianotti AJ, Tower PA, Sheley JH, Conte PA, Spiro C, Ferro AJ, Fitchen JH, Riscoe MK: Selective killing of Klebsiella pneumoniae by 5-trifluoromethylthioribose. Chemotherapeutic exploitation of the enzyme 5-methylthioribose kinase. J Biol Chem. 1990 Jan 15;265(2):831-7. [PubMed:2153115 ]
Savarese TM, Cannistra AJ, Parks RE Jr, Secrist JA 3rd, Shortnacy AT, Montgomery JA: 5'-deoxy-5'-methylthioadenosine phosphorylase--IV. Biological activity of 2-fluoroadenine-substituted 5'-deoxy-5'-methylthioadenosine analogs. Biochem Pharmacol. 1987 Jun 15;36(12):1881-93. doi: 10.1016/0006-2952(87)90484-9. [PubMed:3109431 ]
Savarese TM, Ghoda LY, Dexter DL, Parks RE Jr: Conversion of 5'-deoxy-5'-methylthioadenosine and 5'-deoxy-5'-methylthioinosine to methionine in cultured human leukemic cells. Cancer Res. 1983 Oct;43(10):4699-702. [PubMed:6411330 ]
Tisdale MJ: Methionine synthesis from 5'-methylthioadenosine by tumour cells. Biochem Pharmacol. 1983 Oct 1;32(19):2915-20. doi: 10.1016/0006-2952(83)90396-9. [PubMed:6626263 ]
Ghoda LY, Savarese TM, Dexter DL, Parks RE Jr, Trackman PC, Abeles RH: Characterization of a defect in the pathway for converting 5'-deoxy-5'-methylthioadenosine to methionine in a subline of a cultured heterogeneous human colon carcinoma. J Biol Chem. 1984 Jun 10;259(11):6715-9. [PubMed:6725268 ]
Avila MA, Garcia-Trevijano ER, Lu SC, Corrales FJ, Mato JM: Methylthioadenosine. Int J Biochem Cell Biol. 2004 Nov;36(11):2125-30. doi: 10.1016/j.biocel.2003.11.016. [PubMed:15313459 ]

Showing metabocard for S-Methyl-5-thio-alpha-D-ribose 1-phosphate (MMDBc0033189)

MOL for #<Metabolite:0x00007fed1456cb20>

3D MOL for #<Metabolite:0x00007fed1456cb20>

3D SDF for #<Metabolite:0x00007fed1456cb20>

3D-SDF for #<Metabolite:0x00007fed1456cb20>

PDB for #<Metabolite:0x00007fed1456cb20>

3D PDB for #<Metabolite:0x00007fed1456cb20>

SMILES for #<Metabolite:0x00007fed1456cb20>

INCHI for #<Metabolite:0x00007fed1456cb20>

Structure for #<Metabolite:0x00007fed1456cb20>

3D Structure for #<Metabolite:0x00007fed1456cb20>