MiMeDB: Showing metabocard for Pantetheine 4'-phosphate (MMDBc0029647)

Plant

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:36:00 UTC

Update Date

2022-08-31 14:16:25 UTC

Metabolite ID

MMDBc0029647

Metabolite Identification

Common Name

Pantetheine 4'-phosphate

Description

Pantetheine 4'-phosphate is a metabolite in the pantothenate and coenzyme A biosynthesis pathway. It can be generated from pantatheine (via pantothenate kinase 1) or R-4'-phospho-pantothenoyl-L-cysteine (via phosphopantothenoylcysteine decarboxylase) or dephospho-CoA (via 4'-phosphopantetheine adenylyl-transferase and ectonucleotide pyrophosphatase). The conversion of pantetheine 4'-phosphate (4'-PP) to dephospho-CoA, is catalyzed by 4'-phosphopantetheine adenylyl-transferase. It has been identified as an essential cofactor in in the biosynthesis of fatty acids, polyketides, depsipeptides, peptides, and compounds derived from both carboxylic and amino acid precursors. In particular it is a key prosthetic group of acyl carrier protein (ACP) and peptidyl carrier proteins (PCP) and aryl carrier proteins (ArCP) derived from Coenzyme A. Phosphopantetheine fulfils two demands. Firstly, the intermediates remain covalently linked to the synthases (or synthetases) in an energy-rich thiol ester linkage. Secondly, the flexibility and length of phosphopantetheine chain (approximately 2 nm) allows the covalently tethered intermediates to have access to spatially distinct enzyme active sites.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Molecular Formula

C₁₁H₂₃N₂O₇PS

Average Mass

358.348

Monoisotopic Mass

358.096358302

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

2226-71-3

SMILES

Not Available

InChI Identifier

InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1

InChI Key

JDMUPRLRUUMCTL-VIFPVBQESA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

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

Cytoplasm

Biospecimen Locations

Feces

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
MMDBp0191709	Fatty acid synthase	Enzyme	P49327	Homo_sapiens
MMDBp0191790	Ectonucleotide pyrophosphatase/phosphodiesterase family member 1	Unknown	P22413	Homo_sapiens
MMDBp0191845	Acyl carrier protein, mitochondrial	Enzyme	O14561	Homo_sapiens
MMDBp0191865	Ectonucleotide pyrophosphatase/phosphodiesterase family member 3	Unknown	O14638	Homo_sapiens
MMDBp0192635	Pantothenate kinase 4	Enzyme	Q9NVE7	Homo_sapiens
MMDBp0192636	Pantothenate kinase 2, mitochondrial	Unknown	Q9BZ23	Homo_sapiens
MMDBp0192637	Pantothenate kinase 1	Enzyme	Q8TE04	Homo_sapiens
MMDBp0192638	Pantothenate kinase 3	Enzyme	Q9H999	Homo_sapiens
MMDBp0193312	Bifunctional coenzyme A synthase	Enzyme	Q13057	Homo_sapiens
MMDBp0193823	Phosphopantothenoylcysteine decarboxylase	Unknown	Q96CD2	Homo_sapiens
MMDBp0194067	Mitochondrial 10-formyltetrahydrofolate dehydrogenase	Enzyme	Q3SY69	Homo_sapiens
MMDBp0196297	NADH:ubiquinone oxidoreductase SDAP subunit	Unknown	A4UCS3	Homo_sapiens

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	Proteobacteria	182	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human feces; pleural fluid plaque; bal	Unknown; Metabolic reconstruction
Bacteria	Firmicutes	391	Human feces; Human pleural fluid plaque; Pig ; Human ; Cattle	Metabolic reconstruction
Bacteria	Actinobacteria	128	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human	Metabolic reconstruction
Bacteria	Verrucomicrobia	1	Human ; Human feces	Metabolic reconstruction
Bacteria	Bacteroidetes	126	Human feces; Human appendix biopsy; Human	Metabolic reconstruction
Bacteria	Synergistetes	4	Human feces	Metabolic reconstruction
Bacteria	Spirochaetes	1	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	1	Human feces	Metabolic reconstruction
Bacteria	Fusobacteria	20	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	5	Human feces; Cattle ; Human	Metabolic reconstruction
Bacteria	Candidatus Melainabacteria	1	Human feces	Metabolic reconstruction
Bacteria	Tenericutes	4	Human feces	Metabolic reconstruction
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	1	Human feces	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	1	Human feces	Unknown

Exposure Sources

Food Exposures

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 Feces	Detected but not Quantified									HMDB

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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Tahiliani AG, Beinlich CJ: Pantothenic acid in health and disease. Vitam Horm. 1991;46:165-228. doi: 10.1016/s0083-6729(08)60684-6. [PubMed:1746161 ]

Showing metabocard for Pantetheine 4'-phosphate (MMDBc0029647)

MOL for #<Metabolite:0x0000560be27901a0>

3D MOL for #<Metabolite:0x0000560be27901a0>

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3D-SDF for #<Metabolite:0x0000560be27901a0>

PDB for #<Metabolite:0x0000560be27901a0>

3D PDB for #<Metabolite:0x0000560be27901a0>

SMILES for #<Metabolite:0x0000560be27901a0>

INCHI for #<Metabolite:0x0000560be27901a0>

Structure for #<Metabolite:0x0000560be27901a0>

3D Structure for #<Metabolite:0x0000560be27901a0>