| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-27 01:48:38 UTC |
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| Update Date | 2016-11-09 01:22:36 UTC |
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| Accession Number | CHEM042059 |
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| Identification |
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| Common Name | 5,10-methylenetetrahydrofolate |
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| Class | Small Molecule |
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| Description | Not Available |
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| Contaminant Sources | |
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| 4-Carboxy-4-[(4-{3-imino-1-oxido-3H,4H,5H,6H,6ah,7H,8H,9H-imidazo[1,5-F]pteridin-8-yl}phenyl)formamido]butanoic acid | Generator | | 5,10-Methylenetetrahydrofolic acid | Generator |
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| Chemical Formula | C20H21N7O6 |
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| Average Molecular Mass | 455.432 g/mol |
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| Monoisotopic Mass | 455.156 g/mol |
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| CAS Registry Number | Not Available |
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| IUPAC Name | 2-[(4-{3-amino-1-oxo-1H,2H,5H,6H,6aH,7H,8H,9H-imidazolidino[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioate |
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| Traditional Name | 2-[(4-{3-amino-1-oxo-2H,5H,6H,6aH,7H,9H-imidazolidino[1,5-f]pteridin-8-yl}phenyl)formamido]pentanedioate |
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| SMILES | NC1=NC2=C(N3CN(CC3CN2)C2=CC=C(C=C2)C(=O)NC(CCC([O-])=O)C([O-])=O)C(=O)N1 |
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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)/p-2 |
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| InChI Key | QYNUQALWYRSVHF-UHFFFAOYSA-L |
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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
- N-acyl-alpha amino acid or derivatives
- Hippuric acid
- Hippuric acid or derivatives
- Phenylimidazolidine
- Alpha-amino acid or derivatives
- Imidazopyrazine
- Benzamide
- Benzoic acid or derivatives
- Benzoyl
- Dialkylarylamine
- Aniline or substituted anilines
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Pyrimidine
- Benzenoid
- Vinylogous amide
- Heteroaromatic compound
- Imidazolidine
- Amino acid or derivatives
- Amino acid
- Secondary carboxylic acid amide
- Carboxamide group
- Azacycle
- Secondary amine
- Carboxylic acid derivative
- Carboxylic acid
- Organic oxygen compound
- Amine
- Carbonyl group
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Primary amine
- Organooxygen compound
- Organonitrogen compound
- Organic anion
- Aromatic heteropolycyclic compound
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| Molecular Framework | Aromatic heteropolycyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | Not Available |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB0304209 |
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| FooDB ID | FDB030554 |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Not Available |
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| Chemspider ID | 8131243 |
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| ChEBI ID | Not Available |
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| PubChem Compound ID | 9955633 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | Not Available |
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