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BioLiP

PDB CCD ID: 4DX
Number of entries in BioLiP: 2
Chemical formula: C7 H14 O
InChI: InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
InChIKey: NDVWOBYBJYUSMF-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02OC1CCCCC1C
OpenEye OEToolkits 1.7.0CC1CCCCC1O
CACTVS 3.352C[CH]1CCCC[CH]1O
CACTVS 3.352
OpenEye OEToolkits 1.7.0		C[C@H]1CCCC[C@@H]1O
Name:(1S,2S)-2-methylcyclohexanol;
trans-2-methylcyclohexanol
ZINC: ZINC000001701830
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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