(2S,3R)-3-Isopropylmalate

Properties Image MNX_ID MNXM819780 reference sabiorkM:31179 formula C7H10O5 global charge -2 mol weight 174.152 InChIKey RNQHMTFBUSSBJQ-UHNVWZDZSA-L InChI InChI=1S/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/p-2/t4-,5+/m1/s1 SMILES CC(C)[C@@H](C(=O)[O-])[C@H](O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)/t4-,5+/m1/s1 SMILES (mnx) [CH3:1][CH:3]([CH3:2])[C@H:4]([C@@H:5]([C:7](=[O:11])[OH:12])[OH:8])[C:6](=[O:9])[OH:10]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0