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BioLiP

PDB CCD ID: CPI
Number of entries in BioLiP: 2
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1
InChIKey: HXEACLLIILLPRG-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C1NCCCC1
OpenEye OEToolkits 1.7.0C1CCNC(C1)C(=O)O
CACTVS 3.370OC(=O)[C@H]1CCCCN1
OpenEye OEToolkits 1.7.0C1CCN[C@H](C1)C(=O)O
CACTVS 3.370OC(=O)[CH]1CCCCN1
Name:6-CARBOXYPIPERIDINE
ChEMBL: CHEMBL1231898
ZINC: ZINC000000157014
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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