Record Information |
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Version | 1.0 |
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Creation Date | 2016-05-27 01:48:49 UTC |
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Update Date | 2016-11-09 01:22:36 UTC |
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Accession Number | CHEM042066 |
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Identification |
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Common Name | 5-formyl-tetrahydrofolate |
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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-{[(5-formyl-2-imino-4-oxido-1,2,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]butanoic acid | Generator | 5-Formyl-tetrahydrofolic acid | Generator |
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Chemical Formula | C20H21N7O7 |
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Average Molecular Mass | 471.431 g/mol |
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Monoisotopic Mass | 471.151 g/mol |
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CAS Registry Number | Not Available |
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IUPAC Name | 2-[(4-{[(2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate |
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Traditional Name | 2-[(4-{[(2-amino-5-formyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioate |
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SMILES | NC1=NC(=O)C2=C(NCC(CNC3=CC=C(C=C3)C(=O)NC(CCC([O-])=O)C([O-])=O)N2C=O)N1 |
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InChI Identifier | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/p-2 |
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InChI Key | VVIAGPKUTFNRDU-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
- Hippuric acid or derivatives
- Hippuric acid
- N-acyl-alpha-amino acid
- N-acyl-alpha amino acid or derivatives
- Alpha-amino acid or derivatives
- Aminobenzamide
- Aminobenzoic acid or derivatives
- Benzoic acid or derivatives
- Benzamide
- Benzoyl
- Phenylalkylamine
- Aniline or substituted anilines
- Aminopyrimidine
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Pyrimidine
- Dicarboxylic acid or derivatives
- Monocyclic benzene moiety
- Benzenoid
- Heteroaromatic compound
- Vinylogous amide
- Tertiary carboxylic acid amide
- Carboxamide group
- Amino acid
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Carboxylic acid derivative
- Azacycle
- Carboxylic acid
- Secondary amine
- Organic nitrogen compound
- Amine
- Carbonyl group
- Organonitrogen compound
- Organooxygen compound
- Primary amine
- Hydrocarbon derivative
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Organic anion
- Aromatic heteropolycyclic compound
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Molecular Framework | Aromatic heteropolycyclic compounds |
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External Descriptors | - an <i>N</i><sup>5</sup>-formyl-tetrahydrofolate (5-FORMYL-THF )
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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 | HMDB0304213 |
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FooDB ID | FDB030567 |
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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 | 3767 |
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ChEBI ID | Not Available |
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PubChem Compound ID | 3904 |
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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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