| PDB CCD ID: | THF |
| Number of entries in FURNA: | 1 |
| Chemical formula: | C20 H23 N7 O7 |
| InChI: | 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/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1 |
| InChIKey: | IIEPLRAFVCMHQF-STQMWFEESA-N |
| SMILES: | c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC[C@H]2C=NC3=C([N@@]2CO)C(=O)N=C(N3)N; NC1=NC(=O)C2=C(N1)N=C[C@H](CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)N2CO; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NCC2C=NC3=C(N2CO)C(=O)N=C(N3)N; O=C(O)C(NC(=O)c1ccc(cc1)NCC3C=NC=2NC(=NC(=O)C=2N3CO)N)CCC(=O)O; NC1=NC(=O)C2=C(N1)N=C[CH](CNc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=O)N2CO |
| Name: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID |
| DrugBank: | DB02800 |
| ZINC: | ZINC000012502643 |
Reference: