| Record Information |
|---|
| Version | 4.0 |
|---|
| Creation Date | 2005-11-16 15:48:42 UTC |
|---|
| Update Date | 2017-09-25 17:11:29 UTC |
|---|
| HMDB ID | HMDB0001534 |
|---|
| Secondary Accession Numbers | |
|---|
| Status | Expected but not Quantified |
|---|
| Metabolite Identification |
|---|
| Common Name | 5-Formiminotetrahydrofolic acid |
|---|
| Description | 5-Formiminotetrahydrofolic acid is a substrate for Formimidoyltransferase-cyclodeaminase. |
|---|
| Structure | |
|---|
| Synonyms | | Value | Source |
|---|
| 5-Formimidoyltetrahydrofolate | Kegg | | 5-Formimidoyltetrahydrofolic acid | Generator | | 5-Formiminotetrahydrofolate | Generator |
|
|---|
| Chemical Formula | C20H24N8O6 |
|---|
| Average Molecular Weight | 472.4546 |
|---|
| Monoisotopic Molecular Weight | 472.18188054 |
|---|
| 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 |
|---|
| Traditional Name | 2-[(4-{[(2-amino-5-carboximidoyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid |
|---|
| CAS Registry Number | 2311-81-1 |
|---|
| 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 |
|---|
| 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) |
|---|
| InChI Key | YCWUVLPMLLBDCU-UHFFFAOYSA-N |
|---|
| Chemical Taxonomy |
|---|
| 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. |
|---|
| Kingdom | Chemical entities |
|---|
| Super Class | Organic compounds |
|---|
| Class | Organoheterocyclic compounds |
|---|
| Sub Class | Pteridines and derivatives |
|---|
| Direct Parent | Tetrahydrofolic acids |
|---|
| Alternative Parents | |
|---|
| 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
|
|---|
| Molecular Framework | Aromatic heteropolycyclic compounds |
|---|
| External Descriptors | Not Available |
|---|
| Ontology |
|---|
| Disposition | | Biological Location: | | Source: | | | | Subcellular: | |
|
|---|
| Process | | Naturally occurring process: | | | Biological process: | | | | Biochemical pathway: | |
|
|---|
| Physical Properties |
|---|
| State | Solid |
|---|
| Experimental Properties | | Property | Value | Reference |
|---|
| Melting Point | Not Available | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
|
|---|
| Predicted Properties | |
|---|
| Spectra |
|---|
| Spectra | |
|---|
