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BioLiP

PDB CCD ID: 1FP
Number of entries in BioLiP: 4
Chemical formula: C5 H10 N2 O
InChI: InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
InChIKey: MSSDTZLYNMFTKN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.370		O=CN1CCNCC1
OpenEye OEToolkits 1.7.0C1CN(CCN1)C=O
Name:piperazine-1-carbaldehyde
ZINC: ZINC000000155418
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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