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BioLiP

PDB CCD ID: LWE
Number of entries in BioLiP: 1
Chemical formula: C10 H18 O
InChI: InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m0/s1
InChIKey: NFLGAXVYCFJBMK-DTWKUNHWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)[C@H]1CC[C@H](C)CC1=O
OpenEye OEToolkits 2.0.7C[C@H]1CC[C@@H](C(=O)C1)C(C)C
OpenEye OEToolkits 2.0.7CC1CCC(C(=O)C1)C(C)C
CACTVS 3.385CC(C)[CH]1CC[CH](C)CC1=O
Name:(+)-menthone
ChEMBL: CHEMBL2268548
ZINC: ZINC000000967523
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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