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BioLiP

PDB CCD ID: G8I
Number of entries in BioLiP: 6
Chemical formula: C6 H12 O3
InChI: InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
InChIKey: FWVNWTNCNWRCOU-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)(C)C(C(=O)O)O
OpenEye OEToolkits 2.0.7CC(C)(C)[C@@H](C(=O)O)O
ACDLabs 12.01O=C(O)C(O)C(C)(C)C
CACTVS 3.385CC(C)(C)[CH](O)C(O)=O
CACTVS 3.385CC(C)(C)[C@H](O)C(O)=O
Name:(2S)-2-hydroxy-3,3-dimethylbutanoic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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