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BioLiP

PDB CCD ID: GEB
Number of entries in BioLiP: 0
Chemical formula: C10 H18 N2 O2
InChI: InChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2
InChIKey: YNICZMOQZCCMFE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1CN(CCN1CCC=O)CCC=O
CACTVS 3.385O=CCCN1CCN(CCC=O)CC1
Name:3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
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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