WormBase Tree Display for Molecule: WBMol:00003899
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| WBMol:00003899 | Public_name | Methotrexate | ||||
|---|---|---|---|---|---|---|
| Formula | C20H22N8O5 | |||||
| Monoisotopic_mass | 454.171 | |||||
| IUPAC | N-(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)-L-glutamic acid | |||||
| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O | |||||
| InChi | InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1 | |||||
| InChiKey | FBOZXECLQNJBKD-ZDUSSCGKSA-N | |||||
| Synonym (16) | ||||||
| DB_info | Database | NLM_MeSH | UID | D008727 | ||
| CTD | ChemicalID | D008727 | ||||
| ChEBI | CHEBI_ID | 6837 | ||||
| 44185 | ||||||
| ChemIDplus | RN | 59-05-2 | ||||
| KEGG COMPOUND | Accession_number | C01937 | ||||
| Affects_phenotype_of | Variation | WBVar00248883 | WBPhenotype:0000736 | Paper_evidence | WBPaper00038332 | |
| Curator_confirmed | WBPerson712 | |||||
| Molecule_use | inhibitor of tetrahydrofolate dehydrogenase | |||||
| Reference | WBPaper00038332 | |||||
| WBPaper00041352 |
