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BioLiP

PDB CCD ID: APP
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N O3
InChI: InChI=1S/C8H13NO3/c1-6(10)9-5-3-2-4-7(9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
InChIKey: JACZWLDAHFCGCC-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N1CCCCC1C(=O)O
OpenEye OEToolkits 1.5.0CC(=O)N1CCCC[C@H]1C(=O)O
CACTVS 3.341CC(=O)N1CCCC[CH]1C(O)=O
CACTVS 3.341CC(=O)N1CCCC[C@H]1C(O)=O
ACDLabs 10.04O=C(N1C(C(=O)O)CCCC1)C
Name:1-ACETYL-2-CARBOXYPIPERIDINE
DrugBank: DB07384
ZINC: ZINC000169386053
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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