BioLiP

PDB

BioLiP

PDB CCD ID:

14H

Number of entries in BioLiP:

Chemical formula:

C24 H41 N O3

InChI:

InChI=1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-15-18-24(28)25-22(20-26)19-23(27)21-16-13-12-14-17-21/h12-14,16-17,22-23,26-27H,2-11,15,18-20H2,1H3,(H,25,28)/t22-,23-/m1/s1

InChIKey:

MWVNSXPNTJYJDR-DHIUTWEWSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCCCC(=O)N[CH](CO)C[CH](O)c1ccccc1
CACTVS 3.341	CCCCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCC(=O)NC(CC(c1ccccc1)O)CO
ACDLabs 10.04	O=C(NC(CC(O)c1ccccc1)CO)CCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCC(=O)N[C@H](C[C@H](c1ccccc1)O)CO

Name:

N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide

ChEMBL:

CHEMBL123985

ZINC:

ZINC000043362162

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).