BioLiP

PDB

BioLiP

PDB CCD ID:

VF4

Number of entries in BioLiP:

Chemical formula:

C7 H14 O

InChI:

InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7+/m0/s1

InChIKey:

HTSABYAWKQAHBT-NKWVEPMBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[C@@H]1CCC[C@H](C1)O
ACDLabs 12.01	C1(CCCC(C1)C)O
OpenEye OEToolkits 2.0.7	CC1CCCC(C1)O
CACTVS 3.385	C[C@H]1CCC[C@@H](O)C1
CACTVS 3.385	C[CH]1CCC[CH](O)C1

Name:

(1R,3S)-3-methylcyclohexan-1-ol

ZINC:

ZINC000003861086

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).