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BioLiP

PDB CCD ID: T65
Number of entries in BioLiP: 1
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:
SoftwareSMILES
CACTVS 3.385CCCCCCCCCC\C=C\CCC(=O)C=NCC(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCCC=CCCC(=O)C=NCC(=O)O
CACTVS 3.385CCCCCCCCCCC=CCCC(=O)C=NCC(O)=O
OpenEye OEToolkits 2.0.6CCCCCCCCCC/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, 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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