BioLiP

PDB

BioLiP

PDB CCD ID:

8XO

Number of entries in BioLiP:

Chemical formula:

C18 H30 N4 O3

InChI:

InChI=1S/C18H30N4O3/c19-22-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-17(23)15-20-16-18(24)25/h11,13,15H,1-10,12,14,16H2,(H,24,25)/b13-11+,20-15+

InChIKey:

VMJXHBQSQBKHEB-PZBCRXGTSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O
CACTVS 3.385	OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCN=[N+]=[N-]
CACTVS 3.385	OC(=O)CN=CC(=O)/C=C/CCCCCCCCCCCCN=[N+]=[N-]
OpenEye OEToolkits 2.0.6	C(CCCCCCN=[N+]=[N-])CCCCCC=CC(=O)C=NCC(=O)O

Name:

2-[E-(E-16-azido-2-oxidanylidene-hexadec-3-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).