| PDB CCD ID: | 4TE |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C9 H12 O5 |
| InChI: | InChI=1S/C9H12O5/c1-3-2-4-5(8(10)11)6(9(12)13)7(3)14-4/h3-7H,2H2,1H3,(H,10,11)(H,12,13)/t3-,4-,5-,6-,7+/m0/s1 |
| InChIKey: | YSNMFFYDVUEGJH-AZEWMMITSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | C1(C(C2CC(C1O2)C)C(O)=O)C(O)=O | | CACTVS 3.385 | C[CH]1C[CH]2O[CH]1[CH]([CH]2C(O)=O)C(O)=O | | CACTVS 3.385 | C[C@H]1C[C@@H]2O[C@H]1[C@H]([C@H]2C(O)=O)C(O)=O | | OpenEye OEToolkits 1.9.2 | C[C@H]1C[C@H]2[C@@H]([C@@H]([C@@H]1O2)C(=O)O)C(=O)O | | OpenEye OEToolkits 1.9.2 | CC1CC2C(C(C1O2)C(=O)O)C(=O)O |
|
| Name: | (1S,2R,3S,4R,5S)-5-methyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid |
| ZINC: | ZINC000049560919 |
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