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BioLiP Library

PDB CCD ID: 98J
Number of entries in BioLiP: 3
Chemical formula: C5 H8 O4
InChI: InChI=1S/C5H8O4/c6-2-1-4(7)3-5(8)9/h6H,1-3H2,(H,8,9)
InChIKey: ANTBRXMMNBUYMS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(CO)C(=O)CC(=O)O
CACTVS 3.385OCCC(=O)CC(O)=O
ACDLabs 12.01O=C(O)CC(=O)CCO
Name:5-HYDROXY-3-OXOPENTANOIC ACID
ZINC: ZINC000098208614
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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