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BioLiP

PDB CCD ID: 8XO
Number of entries in BioLiP: 1
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(CCCCCCN=[N+]=[N-])CCCCC/C=C/C(=O)/C=N/CC(=O)O
CACTVS 3.385OC(=O)CN=CC(=O)C=CCCCCCCCCCCCCN=[N+]=[N-]
CACTVS 3.385OC(=O)CN=CC(=O)/C=C/CCCCCCCCCCCCN=[N+]=[N-]
OpenEye OEToolkits 2.0.6C(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, Peter L 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).

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