BioLiP

PDB

BioLiP

PDB CCD ID:

T65

Number of entries in BioLiP:

Chemical formula:

C18 H31 N O3

InChI:

InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(20)15-19-16-18(21)22/h11-12,15H,2-10,13-14,16H2,1H3,(H,21,22)/b12-11+,19-15+

InChIKey:

YSSZBWQPDXCJEP-IHFZGXTKSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCCCCCC\C=C\CCC(=O)C=NCC(O)=O
OpenEye OEToolkits 2.0.6	CCCCCCCCCCC=CCCC(=O)C=NCC(=O)O
CACTVS 3.385	CCCCCCCCCCC=CCCC(=O)C=NCC(O)=O
OpenEye OEToolkits 2.0.6	CCCCCCCCCC/C=C/CCC(=O)/C=N/CC(=O)O

Name:

2-[E-(E-2-oxidanylidenehexadec-5-enylidene)amino]ethanoic acid

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).