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BioLiP Library

PDB CCD ID: 8EZ
Number of entries in BioLiP: 2
Chemical formula: C8 H14 O2
InChI: InChI=1S/C8H14O2/c1-6-4-2-3-5-7(6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)/t6-,7+/m0/s1
InChIKey: VSKXJRZPVDLHFY-NKWVEPMBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH]1CCCC[CH]1C(O)=O
OpenEye OEToolkits 2.0.6CC1CCCCC1C(=O)O
OpenEye OEToolkits 2.0.6C[C@H]1CCCC[C@H]1C(=O)O
CACTVS 3.385C[C@H]1CCCC[C@H]1C(O)=O
Name:(1~{R},2~{S})-2-methylcyclohexane-1-carboxylic acid
ZINC: ZINC000000389535
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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