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BioLiP

PDB CCD ID: 3HL
Number of entries in BioLiP: 8
Chemical formula: C4 H8 O3
InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
InChIKey: WHBMMWSBFZVSSR-VKHMYHEASA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CC(O)C
CACTVS 3.341C[C@H](O)CC(O)=O
CACTVS 3.341C[CH](O)CC(O)=O
OpenEye OEToolkits 1.5.0CC(CC(=O)O)O
OpenEye OEToolkits 1.5.0C[C@@H](CC(=O)O)O
Name:(3S)-3-HYDROXYBUTANOIC ACID
ChEMBL: CHEMBL1162497
ZINC: ZINC000000901665
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).
  • 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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