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BioLiP

PDB CCD ID: ERU
Number of entries in BioLiP: 2
Chemical formula: C22 H43 N O
InChI: InChI=1S/C22H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H2,23,24)/b10-9-
InChIKey: UAUDZVJPLUQNMU-KTKRTIGZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCCCCCCCC=CCCCCCCCCCCCC(N)=O
CACTVS 3.341CCCCCCCC\C=C/CCCCCCCCCCCC(N)=O
OpenEye OEToolkits 1.5.0CCCCCCCCC=CCCCCCCCCCCCC(=O)N
OpenEye OEToolkits 1.5.0CCCCCCCC\C=C/CCCCCCCCCCCC(=O)N
ACDLabs 10.04O=C(N)CCCCCCCCCCC\C=C/CCCCCCCC
Name:(13Z)-docos-13-enamide;
Erucamide;
erucylamide
ChEMBL: CHEMBL1232565
ZINC: ZINC000014232715
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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