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BioLiP Library

PDB CCD ID: 90A
Number of entries in BioLiP: 1
Chemical formula: C13 H25 N O7
InChI: InChI=1S/C13H25NO7/c1-12(15)14-3-5-19-7-9-21-11-10-20-8-6-18-4-2-13(16)17/h2-11H2,1H3,(H,14,15)(H,16,17)
InChIKey: QYCYVPYJQWWUNK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)NCCOCCOCCOCCOCCC(O)=O
OpenEye OEToolkits 2.0.6CC(=O)NCCOCCOCCOCCOCCC(=O)O
ACDLabs 12.01C(NC(C)=O)COCCOCCOCCOCCC(O)=O
Name:2-oxo-6,9,12,15-tetraoxa-3-azaoctadecan-18-oic 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)(download the PDF file).
  • 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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