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BioLiP Library

PDB CCD ID: 8A1
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O4
InChI: InChI=1S/C4H8O4/c1-4(8,2-5)3(6)7/h5,8H,2H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey: DGADNPLBVRLJGD-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C[C@](CO)(C(=O)O)O
CACTVS 3.385C[C](O)(CO)C(O)=O
CACTVS 3.385C[C@](O)(CO)C(O)=O
OpenEye OEToolkits 2.0.6CC(CO)(C(=O)O)O
ACDLabs 12.01O=C(C(C)(CO)O)O
Name:(2S)-2,3-dihydroxy-2-methylpropanoic acid
ZINC: ZINC000012496001
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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