MiMeDB: Showing metabocard for Quinate (MMDBc0030336)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-18 00:04:05 UTC

Update Date

2022-08-31 17:43:53 UTC

MiMeDB ID

MMDBc0030336

Metabolite Identification

Common Name

Quinate

Description

Quinic acid is a cyclitol, a cyclic polyol. It is a crystalline acid obtained from cinchona bark, coffee beans, and other plant products and made synthetically by hydrolysis of chlorogenic acid. Quinic acid is also implicated in the perceived acidity of coffee. It is a constituent of the tara tannins.; This acid is a versatile chiral starting material for the synthesis of new pharmaceuticals. A new medicament for the treatment of influenza A and B strains called Tamiflu has been successfully developed and launched into the market.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₁₂O₆

Average Molecular Weight

192.1666

Monoisotopic Molecular Weight

192.063388116

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

17230-85-2

SMILES

Not Available

InChI Identifier

InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)/t3-,4-,5-,7+/m1/s1

InChI Key

AAWZDTNXLSGCEK-WYWMIBKRSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Cytoplasm

Biospecimen Locations

Blood
Feces
Placenta
Saliva
Spleen

Tissue Locations

Placenta
Spleen

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

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
Prostate cancer		This associated disease is originally imported from HMDB metabolite HMDB0003072 concentration id 57462	Association	Human Blood		19212411	details

Microbial Sources

Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
	Proteobacteria	37	Human	Unknown;
Fungi	Ascomycota	3	Human Feces
Fungi	Basidiomycota	1	Human Feces
	Actinobacteria	3

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Min	Max	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified							HMDB		details
Human	Detected and Quantified	0.5	0.0	1.0	Adult (>18 years old)	Both	Prostate Cancer	HMDB	19212411	details
Human Placenta	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Spleen	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	34986597	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Saliva	Detected but not Quantified				Adult (>18 years old)	Male	Normal	HMDB	22308371	details
Human Feces	Detected but not Quantified				Not Specified	Not Specified	Normal	HMDB	20669995	details
Human Feces	Detected but not Quantified				Infant (0-1 year old)	Both	Normal	HMDB	22411374	details
Human Blood	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24740205	details
Human Blood	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	24801555	details
Human Blood	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	25762808	details
Human Blood	Detected but not Quantified				Adult (>18 years old)	Female	Normal	HMDB	27355821	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	27543620	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	25037050	details
Human Feces	Detected but not Quantified				Adult (>18 years old)	Both	Normal	HMDB	29808030	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

Akesson C, Lindgren H, Pero RW, Leanderson T, Ivars F: Quinic acid is a biologically active component of the Uncaria tomentosa extract C-Med 100. Int Immunopharmacol. 2005 Jan;5(1):219-29. doi: 10.1016/j.intimp.2004.09.028. [PubMed:15589483 ]
Wittemer SM, Ploch M, Windeck T, Muller SC, Drewelow B, Derendorf H, Veit M: Bioavailability and pharmacokinetics of caffeoylquinic acids and flavonoids after oral administration of Artichoke leaf extracts in humans. Phytomedicine. 2005 Jan;12(1-2):28-38. doi: 10.1016/j.phymed.2003.11.002. [PubMed:15693705 ]
Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]

Showing metabocard for Quinate (MMDBc0030336)

MOL for #<Metabolite:0x00007f459804d050>

3D MOL for #<Metabolite:0x00007f459804d050>

3D SDF for #<Metabolite:0x00007f459804d050>

3D-SDF for #<Metabolite:0x00007f459804d050>

PDB for #<Metabolite:0x00007f459804d050>

3D PDB for #<Metabolite:0x00007f459804d050>

SMILES for #<Metabolite:0x00007f459804d050>

INCHI for #<Metabolite:0x00007f459804d050>

Structure for #<Metabolite:0x00007f459804d050>

3D Structure for #<Metabolite:0x00007f459804d050>