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BioLiP

PDB CCD ID: 6NA
Number of entries in BioLiP: 47
Chemical formula: C6 H12 O2
InChI: InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCC
CACTVS 3.341CCCCCC(O)=O
Name:HEXANOIC ACID
ChEMBL: CHEMBL14184
ZINC: ZINC000001529230
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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