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BioLiP

PDB CCD ID: PEI
Number of entries in BioLiP: 0
Chemical formula: C5 H10 O2
InChI: InChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)/f/h6H
InChIKey: NQPDZGIKBAWPEJ-BRMMOCHJCG
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(O)CCCC
OpenEye OEToolkits 1.5.0CCCCC(=O)O
CACTVS 3.341CCCCC(O)=O
Name:PENTANOIC ACID;
N-VALERIC ACID
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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