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BioLiP Library

PDB CCD ID: WNF
Number of entries in BioLiP: 1
Chemical formula: C15 H20 O3
InChI: InChI=1S/C15H20O3/c1-11-5-4-7-13(9-11)18-10-12-6-2-3-8-14(12)15(16)17/h4-5,7,9,12,14H,2-3,6,8,10H2,1H3,(H,16,17)/t12-,14-/m0/s1
InChIKey: BEOCMNOTTQAHDK-JSGCOSHPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cccc(c1)OC[C@@H]2CCCC[C@@H]2C(=O)O
CACTVS 3.385Cc1cccc(OC[C@@H]2CCCC[C@@H]2C(O)=O)c1
CACTVS 3.385Cc1cccc(OC[CH]2CCCC[CH]2C(O)=O)c1
OpenEye OEToolkits 2.0.7Cc1cccc(c1)OCC2CCCCC2C(=O)O
ACDLabs 12.01O=C(O)C1CCCCC1COc1cc(C)ccc1
Name:(1S,2R)-2-[(3-methylphenoxy)methyl]cyclohexane-1-carboxylic acid
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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