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BioLiP Library

PDB CCD ID: 6F5
Number of entries in BioLiP: 0
Chemical formula: C8 H16 O2
InChI: InChI=1S/C8H16O2/c1-7(2)5-3-4-6-8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
InChIKey: OEOIWYCWCDBOPA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)CCCCC(O)=O
OpenEye OEToolkits 2.0.5CC(C)CCCCC(=O)O
Name:6-methylheptanoic acid
ZINC: ZINC000002584579
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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