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BioLiP

PDB CCD ID: WF1
Number of entries in BioLiP: 1
Chemical formula: C12 H24 N2 O7
InChI: InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
InChIKey: YQZVQKYXWPIKIX-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(COCCOCC(=O)NCCOCCOCC(=O)O)N
CACTVS 3.385NCCOCCOCC(=O)NCCOCCOCC(O)=O
ACDLabs 12.01C(OCCOCC(O)=O)CNC(COCCOCCN)=O
Name:17-amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecan-1-oic acid
ZINC: ZINC000104843043
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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