MiMeDB: Showing metabocard for Phosphoadenosine phosphosulfate (MMDBc0029568)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:32:37 UTC

Update Date

2022-08-31 13:44:09 UTC

MiMeDB ID

MMDBc0029568

Metabolite Identification

Common Name

Phosphoadenosine phosphosulfate

Description

3'-Phosphoadenosine-5'-phosphosulfate is a key intermediate in the formation by living cells of sulfate esters of phenols, alcohols, sulfated polysaccharides, and simple esters, such as choline sulfate. It is formed from a sulfate ion and ATP in a two-step process. This compound also is an important intermediate in the process of sulfur fixation in plants and microorganisms.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₅N₅O₁₃P₂S

Average Molecular Weight

507.264

Monoisotopic Molecular Weight

506.986229305

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

482-67-7

SMILES

Not Available

InChI Identifier

InChI=1S/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)/t4-,6-,7-,10-/m1/s1

InChI Key

GACDQMDRPRGCTN-KQYNXXCUSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Golgi apparatus

Biospecimen Locations

Feces
Kidney
Liver
Platelet

Tissue Locations

Kidney
Liver
Platelet

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x00007f4568540b78>

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Related Health Condition	Evidence Type	Measured in Matrix	Data Source	Reference

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	224	Human Feces; Human ; Pig	Unknown; Metabolic reconstruction;
	Actinobacteria	46	Human Feces; Human	Metabolic reconstruction;
	Verrucomicrobia	1	Human	Metabolic reconstruction
	Bacteroidetes	81	Human Feces; Human	Metabolic reconstruction
	Firmicutes	98	Human Feces; Human	Metabolic reconstruction;
	Thaumarchaeota	1	Human Feces	Metabolic reconstruction
	Fusobacteria	1	Human	Metabolic reconstruction
	Planctomycetes	2	Human Feces	Metabolic reconstruction;
	Crenarchaeota	1	Human Feces	Metabolic reconstruction
	Cyanobacteria	9	Human
Archaea	Crenarchaeota	1
Archaea	Euryarchaeota	2
	Chloroflexi	1
	Deinococcus-Thermus	3
		1
	Nitrospirae	1
Fungi	Ascomycota	7	Human Feces	; Unknown
NULL	Proteobacteria	1
	Aquificae	1

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified				HMDB		details
Human Kidney	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Liver	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Platelet	Detected but not Quantified	Not Specified	Not Specified	Normal	HMDB	34986597	details

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

References

Synthesis Reference

Not Available

General References

Wong KP, Khoo BY, Sit KH: Biosynthesis of PAPS in vitro by human liver. Measurement by two independent assay procedures. Biochem Pharmacol. 1991 Jan 1;41(1):63-9. doi: 10.1016/0006-2952(91)90011-s. [PubMed:1846073 ]
Cappiello M, Franchi M, Rane A, Pacifici GM: Sulphotransferase and its substrate: adenosine-3'-phosphate-5'-phosphosulphate in human fetal liver and placenta. Dev Pharmacol Ther. 1990;14(1):62-5. [PubMed:2311482 ]
Cappiello M, Franchi M, Giuliani L, Pacifici GM: Distribution of 2-naphthol sulphotransferase and its endogenous substrate adenosine 3'-phosphate 5'-phosphosulphate in human tissues. Eur J Clin Pharmacol. 1989;37(3):317-20. doi: 10.1007/BF00679793. [PubMed:2612547 ]
Khoo BY, Sit KH, Wong KP: Does PAPS generation determine the overall sulfate conjugation in human platelets? Life Sci. 1988;42(23):2389-95. doi: 10.1016/0024-3205(88)90193-2. [PubMed:3131608 ]
Carlier M, Squifflet JP, Pirson Y, Gribomont B, Alexandre GP: Maximal hydration during anesthesia increases pulmonary arterial pressures and improves early function of human renal transplants. Transplantation. 1982 Oct;34(4):201-4. doi: 10.1097/00007890-198210000-00008. [PubMed:6755828 ]
Suarez IM, Diaz RA, Aguayo Canela D, Pujol de la Llave E: Correction of severe thrombocytopenia with chloroquine in the primary antiphospholipid syndrome. Lupus. 1996 Feb;5(1):81-3. doi: 10.1177/096120339600500116. [PubMed:8646233 ]
Fanelli A, Bergamini C, Rapi S, Caldini A, Spinelli A, Buggiani A, Emmi L: Flow cytometric detection of circulating activated platelets in primary antiphospholipid syndrome. Correlation with thrombocytopenia and anticardiolipin antibodies. Lupus. 1997;6(3):261-7. doi: 10.1177/096120339700600309. [PubMed:9104734 ]
Emmi L, Bergamini C, Spinelli A, Liotta F, Marchione T, Caldini A, Fanelli A, De Cristofaro MT, Dal Pozzo G: Possible pathogenetic role of activated platelets in the primary antiphospholipid syndrome involving the central nervous system. Ann N Y Acad Sci. 1997 Aug 14;823:188-200. doi: 10.1111/j.1749-6632.1997.tb48391.x. [PubMed:9292045 ]
Joseph JE, Harrison P, Mackie IJ, Isenberg DA, Machin SJ: Increased circulating platelet-leucocyte complexes and platelet activation in patients with antiphospholipid syndrome, systemic lupus erythematosus and rheumatoid arthritis. Br J Haematol. 2001 Nov;115(2):451-9. doi: 10.1046/j.1365-2141.2001.03101.x. [PubMed:11703349 ]

Showing metabocard for Phosphoadenosine phosphosulfate (MMDBc0029568)

MOL for #<Metabolite:0x00007f4574f9bad0>

3D MOL for #<Metabolite:0x00007f4574f9bad0>

3D SDF for #<Metabolite:0x00007f4574f9bad0>

3D-SDF for #<Metabolite:0x00007f4574f9bad0>

PDB for #<Metabolite:0x00007f4574f9bad0>

3D PDB for #<Metabolite:0x00007f4574f9bad0>

SMILES for #<Metabolite:0x00007f4574f9bad0>

INCHI for #<Metabolite:0x00007f4574f9bad0>

Structure for #<Metabolite:0x00007f4574f9bad0>

3D Structure for #<Metabolite:0x00007f4574f9bad0>