Record Information |
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Version | 1.0 |
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Creation Date | 2016-09-30 22:47:18 UTC |
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Update Date | 2020-05-21 16:28:32 UTC |
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BMDB ID | BMDB0001533 |
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Secondary Accession Numbers | |
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Metabolite Identification |
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Common Name | 5,10-Methylene-THF |
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Description | 5,10-Methylene-THF, also known as CH2H4folate, belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit. 5,10-Methylene-THF is a strong basic compound (based on its pKa). 5,10-Methylene-THF exists in all eukaryotes, ranging from yeast to humans. |
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Structure | |
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Synonyms | Value | Source |
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(6R)-5,10-Methylenetetrahydrofolate | Kegg | (6R)-5,10-Methylenetetrahydrofolic acid | Generator | 5,10-Methenyltetrahydropteroylglutamate | HMDB | 5,10-Methylene-6-hydrofolate | HMDB | 5,10-Methylene-6-hydrofolic acid | HMDB | 5,10-Methylenetetrahydrofolate | HMDB | 5,10-Methylenetetrahydrofolic acid | HMDB | N5>,N10-methylenetetrahydrofolate | HMDB | 5,10-Methylene-5,6,7,8-tetrahydrofolate | HMDB | Tetrahydromethylenefolate | HMDB | 5,10-Methylenetetrahydrofolate, (D-glu)-isomer | HMDB | CH2H4Folate | HMDB | 5,10-Methylenetetrahydrofolate monohydrochloride, (L-glu)-isomer | HMDB | 5,10-Methylenetetrahydrofolate, (L-glu)-(S)-isomer | HMDB |
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Chemical Formula | C20H23N7O6 |
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Average Molecular Weight | 457.4399 |
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Monoisotopic Molecular Weight | 457.170981503 |
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IUPAC Name | Not Available |
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Traditional Name | Not Available |
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CAS Registry Number | 31690-11-6 |
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SMILES | Not Available |
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InChI Identifier | InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12-,13?/m1/s1 |
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InChI Key | QYNUQALWYRSVHF-PZORYLMUSA-N |
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Chemical Taxonomy |
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Description | belongs to the class of organic compounds known as tetrahydrofolic acids. These are heterocyclic compounds based on the 5,6,7,8-tetrahydropteroic acid skeleton conjugated with at least one L-glutamic acid unit. |
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Kingdom | Organic compounds |
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Super Class | Organoheterocyclic compounds |
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Class | Pteridines and derivatives |
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Sub Class | Pterins and derivatives |
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Direct Parent | Tetrahydrofolic acids |
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Alternative Parents | |
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Substituents | - Tetrahydrofolic acid
- Glutamic acid or derivatives
- N-acyl-alpha amino acid or derivatives
- N-acyl-alpha-amino acid
- Hippuric acid
- Hippuric acid or derivatives
- Phenylimidazolidine
- Alpha-amino acid or derivatives
- Benzamide
- Benzoic acid or derivatives
- Imidazopyrazine
- Benzoyl
- Dialkylarylamine
- Aniline or substituted anilines
- Pyrimidone
- Aminopyrimidine
- Secondary aliphatic/aromatic amine
- Benzenoid
- Pyrimidine
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Heteroaromatic compound
- Vinylogous amide
- Imidazolidine
- Secondary carboxylic acid amide
- Amino acid or derivatives
- Amino acid
- Carboxamide group
- Secondary amine
- Azacycle
- Carboxylic acid
- Carboxylic acid derivative
- Primary amine
- Organic nitrogen compound
- Carbonyl group
- Hydrocarbon derivative
- Amine
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organonitrogen compound
- Organooxygen compound
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | Not Available |
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Ontology |
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Status | Expected but not Quantified |
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Origin | |
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Biofunction | Not Available |
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Application | Not Available |
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Cellular locations | |
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Physical Properties |
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State | Solid |
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Experimental Properties | Property | Value | Reference |
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Melting Point | Not Available | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
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Predicted Properties | Not Available |
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Spectra |
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Spectra | |
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Synthesis Reference | Agrawal, Nitish; Mihai, Cornelia; Kohen, Amnon. Microscale synthesis of isotopically labeled R-[6-xH]N5,N10-methylene-5,6,7,8-tetrahydrofolate as a cofactor for thymidylate synthase. Analytical Biochemistry (2004), 328(1), 44-50. |
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