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BioLiP Library

PDB CCD ID: HIU
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O3
InChI: InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m1/s1
InChIKey: DBXBTMSZEOQQDU-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(CO)C(=O)O
CACTVS 3.341C[C@H](CO)C(O)=O
OpenEye OEToolkits 1.5.0C[C@H](CO)C(=O)O
ACDLabs 10.04O=C(O)C(C)CO
CACTVS 3.341C[CH](CO)C(O)=O
Name:(2R)-3-HYDROXY-2-METHYLPROPANOIC ACID;
3-HYDROXYISOBUTYRATE
ZINC: ZINC000000895528
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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