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CHEBI:22526 - 4-aminofolic acid
| Formula | C19H20N8O5 |
| Net Charge | 0 |
| Average Mass | 440.420 |
| Monoisotopic Mass | 440.15567 |
| SMILES | Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 |
| InChI | InChI=1S/C19H20N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,8,12,22H,5-7H2,(H,25,30)(H,28,29)(H,31,32)(H4,20,21,23,26,27)/t12-/m0/s1 |
| InChIKey | TVZGACDUOSZQKY-LBPRGKRZSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution. EC 1.5.1.3 (dihydrofolate reductase) inhibitor An EC 1.5.1.* (oxidoreductase acting on donor CH-NH group, NAD+ or NADP+ as acceptor) inhibitor that interferes with the action of dihydrofolate reductase (EC 1.5.1.3). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-aminofolic acid (CHEBI:22526) has functional parent folic acid (CHEBI:27470) |
| 4-aminofolic acid (CHEBI:22526) has role EC 1.5.1.3 (dihydrofolate reductase) inhibitor (CHEBI:50683) |
| 4-aminofolic acid (CHEBI:22526) has role mutagen (CHEBI:25435) |
| 4-aminofolic acid (CHEBI:22526) is a dicarboxylic acid (CHEBI:35692) |
| IUPAC Name |
|---|
| N-(4-{[(2,4-diaminopteridin-6-yl)methyl]amino}benzoyl)-L-glutamic acid |
| Synonyms | Source |
|---|---|
| aminopterin | ChemIDplus |
| 4-aminofolic acid | ChemIDplus |
| 4-aminopteroylglutamic acid | ChemIDplus |
| 4-amino-PGA | ChemIDplus |
| N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-L-glutamic acid | ChemIDplus |
| Citations |
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