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BioLiP

PDB CCD ID: PTL
Number of entries in BioLiP: 4
Chemical formula: C5 H10 O
InChI: InChI=1S/C5H10O/c1-2-3-4-5-6/h5H,2-4H2,1H3
InChIKey: HGBOYTHUEUWSSQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCC=O
ACDLabs 10.04O=CCCCC
Name:PENTANAL
ChEMBL: CHEMBL18602
DrugBank: DB01919
ZINC: ZINC000001667603
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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