BioLiP

PDB

BioLiP

PDB CCD ID:

EVY

Number of entries in BioLiP:

Chemical formula:

C20 H37 N O3

InChI:

InChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(22)21-18-15-16-24-20(18)23/h17-18H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m0/s1

InChIKey:

XGYNUFAUHRHVSH-ROUUACIJSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CCCCCCCCC(CCCCCC)C(=O)NC1C(OCC1)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCCCC[C@H](CCCCCC)C(=O)N[C@H]1CCOC1=O
OpenEye OEToolkits 2.0.6	CCCCCCCCC(CCCCCC)C(=O)NC1CCOC1=O
CACTVS 3.385	CCCCCCCC[CH](CCCCCC)C(=O)N[CH]1CCOC1=O

Name:

(2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide

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).