PDB CCD ID: | 58U |
Number of entries in BioLiP: | 4 |
Chemical formula: | C8 H10 O5 |
InChI: | InChI=1S/C8H10O5/c1-5(6(10)2-3-9)4-7(11)8(12)13/h3,5H,2,4H2,1H3,(H,12,13)/t5-/m0/s1 |
InChIKey: | JDEHLHSRIXMJEO-YFKPBYRVSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.385 | C[C@@H](CC(=O)C(O)=O)C(=O)CC=O | OpenEye OEToolkits 2.0.5 | C[C@@H](CC(=O)C(=O)O)C(=O)CC=O | CACTVS 3.385 | C[CH](CC(=O)C(O)=O)C(=O)CC=O | OpenEye OEToolkits 2.0.5 | CC(CC(=O)C(=O)O)C(=O)CC=O | ACDLabs 12.01 | OC(C(CC(C(=O)CC=O)C)=O)=O |
|
Name: | (4S)-4-methyl-2,5,7-trioxoheptanoic acid |
ZINC: | ZINC000584905131 |