BioLiP

PDB

BioLiP

PDB CCD ID:

EWM

Number of entries in BioLiP:

Chemical formula:

C16 H29 N O3

InChI:

InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1

InChIKey:

WILLZMOKUUPJSL-AWEZNQCLSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(CCCCCCCCCCC)NC1CCOC1=O
OpenEye OEToolkits 2.0.6	CCCCCCCCCCCC(=O)NC1CCOC1=O
CACTVS 3.385	CCCCCCCCCCCC(=O)N[CH]1CCOC1=O
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CCCCCCCCCCCC(=O)N[C@H]1CCOC1=O

Name:

N-[(3S)-2-oxooxolan-3-yl]dodecanamide

ChEMBL:

CHEMBL8755

ZINC:

ZINC000042764482

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).