BioLiP

PDB

BioLiP

PDB CCD ID:

2SL

Number of entries in BioLiP:

Chemical formula:

C5 H12 O

InChI:

InChI=1S/C5H12O/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3/t5-/m0/s1

InChIKey:

JYVLIDXNZAXMDK-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCC[CH](C)O
ACDLabs 10.04	OC(C)CCC
OpenEye OEToolkits 1.5.0	CCCC(C)O
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CCC[C@H](C)O

Name:

(2S)-pentan-2-ol;
(S)-2-pentanol

ZINC:

ZINC000002539567

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).