| Record Information |
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| Version | 3.6 |
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| Creation Date | 2005-11-16 15:48:42 UTC |
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| Update Date | 2017-03-02 21:26:39 UTC |
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| HMDB ID | HMDB01534 |
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| Secondary Accession Numbers | None |
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| Metabolite Identification |
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| Common Name | 5-Formiminotetrahydrofolic acid |
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| Description | 5-Formiminotetrahydrofolic acid is a substrate for Formimidoyltransferase-cyclodeaminase. |
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| Structure | |
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| Synonyms | | Value | Source |
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| 5-Formimidoyltetrahydrofolate | Kegg | | 5-Formimidoyltetrahydrofolic acid | Generator | | 5-Formiminotetrahydrofolate | Generator |
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| Chemical Formula | C20H24N8O6 |
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| Average Molecular Weight | 472.4546 |
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| Monoisotopic Molecular Weight | 472.18188054 |
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| IUPAC Name | 2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid |
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| Traditional Name | 2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid |
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| CAS Registry Number | 2311-81-1 |
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| SMILES | NC1=NC2=C(N(C=N)C(CNC3=CC=C(C=C3)C(=O)NC(CCC(O)=O)C(O)=O)CN2)C(=O)N1 |
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| InChI Identifier | InChI=1S/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32) |
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| InChI Key | YCWUVLPMLLBDCU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | This compound belongs to the class of chemical entities 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 | Chemical entities |
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| Super Class | Organic compounds |
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| Class | Organoheterocyclic compounds |
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| Sub Class | Pteridines 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
- Alpha-amino acid or derivatives
- Aminobenzamide
- Aminobenzoic acid or derivatives
- Benzoic acid or derivatives
- Benzamide
- Benzoyl
- Phenylalkylamine
- Aniline or substituted anilines
- Pyrimidone
- Secondary aliphatic/aromatic amine
- Aminopyrimidine
- Monocyclic benzene moiety
- Dicarboxylic acid or derivatives
- Benzenoid
- Pyrimidine
- Primary aromatic amine
- Heteroaromatic compound
- Vinylogous amide
- Amino acid or derivatives
- Secondary carboxylic acid amide
- Carboxamide group
- Amino acid
- Secondary amine
- Formamidine
- Amidine
- Azacycle
- Carboxylic acid
- Carboxylic acid derivative
- Carboxylic acid amidine
- Organooxygen compound
- Organic nitrogen compound
- Hydrocarbon derivative
- Carbonyl group
- Organic oxide
- Organopnictogen compound
- Organic oxygen compound
- Imine
- Primary amine
- Amine
- Organonitrogen 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 | - Cytoplasm (predicted from logP)
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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 | |
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| Spectra |
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| Spectra | Not Available |
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