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BioLiP

PDB CCD ID: 7N6
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O3
InChI: InChI=1S/C6H12O3/c1-2-3-4-5(7)6(8)9/h5,7H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKey: NYHNVHGFPZAZGA-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0CCCC[C@H](C(=O)O)O
OpenEye OEToolkits 3.1.0.0CCCCC(C(=O)O)O
CACTVS 3.385CCCC[CH](O)C(O)=O
CACTVS 3.385CCCC[C@@H](O)C(O)=O
Name:(2R)-2-hydroxyhexanoic acid
ZINC: ZINC000001757853
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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