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BioLiP

PDB CCD ID: 2LE
Number of entries in BioLiP: 0
Chemical formula: C9 H18 O2
InChI: InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m0/s1
InChIKey: FAPYUVKMJWJMEH-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2CCCCC[C@H]1CC[C@@H](O1)O
OpenEye OEToolkits 1.7.2CCCCCC1CCC(O1)O
ACDLabs 12.01OC1OC(CCCCC)CC1
CACTVS 3.370CCCCC[CH]1CC[CH](O)O1
CACTVS 3.370CCCCC[C@H]1CC[C@H](O)O1
Name:(2R,5S)-5-pentyltetrahydrofuran-2-ol
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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