BioLiP

PDB

BioLiP

PDB CCD ID:

VOL

Number of entries in BioLiP:

Chemical formula:

C5 H13 N O

InChI:

InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1

InChIKey:

NWYYWIJOWOLJNR-RXMQYKEDSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	OCC(N)C(C)C
CACTVS 3.341	CC(C)[C@H](N)CO
CACTVS 3.341	CC(C)[CH](N)CO
OpenEye OEToolkits 1.5.0	CC(C)[C@@H](CO)N
OpenEye OEToolkits 1.5.0	CC(C)C(CO)N

Name:

L-VALINOL

DrugBank:

DB04383

ZINC:

ZINC000000392015

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).