BioLiP

PDB

BioLiP

PDB CCD ID:

XUQ

Number of entries in BioLiP:

Chemical formula:

C10 H20 O

InChI:

InChI=1S/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3/t8-,9+,10-/m1/s1

InChIKey:

NOOLISFMXDJSKH-KXUCPTDWSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC(C)C1CCC(C)CC1O
CACTVS 3.385	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O
OpenEye OEToolkits 2.0.7	C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C
OpenEye OEToolkits 2.0.7	CC1CCC(C(C1)O)C(C)C
CACTVS 3.385	CC(C)[CH]1CC[CH](C)C[CH]1O

Name:

(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexan-1-ol;
L-menthol

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).