BioLiP

PDB

BioLiP

PDB CCD ID:

S7V

Number of entries in BioLiP:

Chemical formula:

C12 H17 N O2

InChI:

InChI=1S/C12H17NO2/c14-10-12-9-13(6-7-15-12)8-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2/t12-/m1/s1

InChIKey:

WQNIKIMRIXHNFF-GFCCVEGCSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(ccccc1)CN2CCOC(CO)C2
CACTVS 3.385	OC[CH]1CN(CCO1)Cc2ccccc2
CACTVS 3.385	OC[C@H]1CN(CCO1)Cc2ccccc2
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2CCOC(C2)CO
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CN2CCO[C@H](C2)CO

Name:

[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol

ZINC:

ZINC000019851665

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).