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BioLiP

PDB CCD ID: N1X
Number of entries in BioLiP: 2
Chemical formula: C10 H14 O2
InChI: InChI=1S/C10H14O2/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9H,2-4,7H2,1H3/t9-/m0/s1
InChIKey: LFPRQMKTEKLYDA-VIFPVBQESA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cc1oc(cc1)C1CCCCO1
OpenEye OEToolkits 2.0.7Cc1ccc(o1)[C@@H]2CCCCO2
CACTVS 3.385Cc1oc(cc1)[C@@H]2CCCCO2
OpenEye OEToolkits 2.0.7Cc1ccc(o1)C2CCCCO2
CACTVS 3.385Cc1oc(cc1)[CH]2CCCCO2
Name:(2S)-2-(5-methylfuran-2-yl)oxane
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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