MiMeDB: Showing metabocard for Dihydrofolic acid (MMDBc0029538)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:31:29 UTC

Update Date

2022-08-31 13:42:51 UTC

MiMeDB ID

MMDBc0029538

Metabolite Identification

Common Name

Dihydrofolic acid

Description

Dihydrofolic acid is a folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division. It can be targeted with drug analogs to prevent nucleic acid synthesis. Dihydrofolic acid is also known by the name Dihydrofolate - more commonly Vitamin B9.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₁N₇O₆

Average Molecular Weight

443.4133

Monoisotopic Molecular Weight

443.155331439

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

4033-27-6

SMILES

Not Available

InChI Identifier

InChI=1S/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t12-/m0/s1

InChI Key

OZRNSSUDZOLUSN-LBPRGKRZSA-N

Chemical Taxonomy

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Not Available

Spectra

Not Available

Biological Properties

Cellular Locations

Extracellular
Lysosome
Mitochondria

Biospecimen Locations

Blood
Feces
Liver

Tissue Locations

Liver

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Proteins

#<MetaboliteProteinLink:0x0000564abfda0880>

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	182	Human Feces; Human ; Pig	Unknown; Metabolic reconstruction
	Firmicutes	388	Human Feces; Pig ; Human ; Cattle	Metabolic reconstruction
	Actinobacteria	126	Human Feces; Human	Metabolic reconstruction
	Verrucomicrobia	1	Human	Metabolic reconstruction
	Bacteroidetes	126	Human Feces; Human	Metabolic reconstruction
	Spirochaetes	1	Human Feces	Metabolic reconstruction
	Fusobacteria	20	Human Feces; Human	Metabolic reconstruction
	Synergistetes	2	Human Feces	Metabolic reconstruction
	Euryarchaeota	5	Human Feces; Cattle ; Human	Metabolic reconstruction
	Candidatus Melainabacteria	1	Human Feces	Metabolic reconstruction
	Tenericutes	3	Human Feces	Metabolic reconstruction
	Planctomycetes	1	Human Feces	Metabolic reconstruction
Fungi	Ascomycota	1	Human Feces	Unknown

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference	Details

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified						HMDB		details
Human	Detected and Quantified	0.005	0.001	Adult (>18 years old)	Both	Normal	HMDB	7226494	details
Human Liver	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

Navarro-Peran E, Cabezas-Herrera J, Garcia-Canovas F, Durrant MC, Thorneley RN, Rodriguez-Lopez JN: The antifolate activity of tea catechins. Cancer Res. 2005 Mar 15;65(6):2059-64. doi: 10.1158/0008-5472.CAN-04-3469. [PubMed:15781612 ]

Showing metabocard for Dihydrofolic acid (MMDBc0029538)

MOL for #<Metabolite:0x0000564abf73b2b0>

3D MOL for #<Metabolite:0x0000564abf73b2b0>

3D SDF for #<Metabolite:0x0000564abf73b2b0>

3D-SDF for #<Metabolite:0x0000564abf73b2b0>

PDB for #<Metabolite:0x0000564abf73b2b0>

3D PDB for #<Metabolite:0x0000564abf73b2b0>

SMILES for #<Metabolite:0x0000564abf73b2b0>

INCHI for #<Metabolite:0x0000564abf73b2b0>

Structure for #<Metabolite:0x0000564abf73b2b0>

3D Structure for #<Metabolite:0x0000564abf73b2b0>