TMF
Summary
| Name: | 5,10-METHYLENE-6-HYDROFOLIC ACID |
| Formula: | C20 H21 N7 O6 |
| Formal charge: | 0 |
| Formula weight: | 455.424 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-({4-[(6aS)-3-amino-1-oxo-1,4,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-D-glutamic acid |
| OpenEye OEToolkits | 1.5.0 | (2R)-2-[[4-[(6aS,8S,10S)-3-amino-1-oxo-4,6a,7,9-tetrahydroimidazo[3,4-f]pteridin-8-yl]phenyl]carbonylamino]pentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(NC(=O)c1ccc(cc1)N3CN2C4=C(N=CC2C3)NC(=NC4=O)N)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | NC1=NC(=O)C2=C(N1)N=C[C@@H]3CN(CN23)c4ccc(cc4)C(=O)N[C@H](CCC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.341 | NC1=NC(=O)C2=C(N1)N=C[CH]3CN(CN23)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)N[C@H](CCC(=O)O)C(=O)O)[N@@]2C[C@H]3C=NC4=C([N@]3C2)C(=O)N=C(N4)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)N2CC3C=NC4=C(N3C2)C(=O)N=C(N4)N |
| InChI | InChI | 1.03 | InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,7,12-13H,5-6,8-9H2,(H,23,30)(H,28,29)(H,32,33)(H3,21,24,25,31)/t12-,13-/m1/s1 |
| InChIKey | InChI | 1.03 | BHJAPJNOACHPNI-CHWSQXEVSA-N |
