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BioLiP

PDB CCD ID: V4K
Number of entries in BioLiP: 1
Chemical formula: C15 H19 N O3
InChI: InChI=1S/C15H19NO3/c17-10-7-12-5-8-16(9-6-12)15(19)14-3-1-13(11-18)2-4-14/h1-4,11-12,17H,5-10H2
InChIKey: MIXQWHDMSUKIOP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCC1CCN(CC1)C(=O)c2ccc(C=O)cc2
OpenEye OEToolkits 2.0.7c1cc(ccc1C=O)C(=O)N2CCC(CC2)CCO
Name:4-[4-(2-hydroxyethyl)piperidin-1-yl]carbonylbenzaldehyde
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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