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BioLiP

PDB CCD ID: VF4
Number of entries in BioLiP: 0
Chemical formula: C7 H14 O
InChI: InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1
InChIKey: HTSABYAWKQAHBT-NKWVEPMBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@@H]1CCC[C@H](C1)O
ACDLabs 12.01C1(CCCC(C1)C)O
OpenEye OEToolkits 2.0.7CC1CCCC(C1)O
CACTVS 3.385C[C@H]1CCC[C@@H](O)C1
CACTVS 3.385C[CH]1CCC[CH](O)C1
Name:(1R,3S)-3-methylcyclohexan-1-ol
ZINC: ZINC000003861086
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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