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BioLiP

PDB CCD ID: 5KO
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-4(6)2-3-5/h3-4,6H,2H2,1H3/t4-/m1/s1
InChIKey: HSJKGGMUJITCBW-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(CC=O)O
OpenEye OEToolkits 1.9.2C[C@H](CC=O)O
CACTVS 3.385C[C@@H](O)CC=O
CACTVS 3.385C[CH](O)CC=O
ACDLabs 12.01O=CCC(C)O
Name:(3R)-3-hydroxybutanal;
Faropenem adduct
ZINC: ZINC000001683663
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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