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BioLiP Library

PDB CCD ID: VWM
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N O4
InChI: InChI=1S/C8H13NO4/c1-6(10)9-4-2-3-8(13,5-9)7(11)12/h13H,2-5H2,1H3,(H,11,12)/t8-/m1/s1
InChIKey: CKOGPKPHDCYLTR-MRVPVSSYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N1CCC[C@@](O)(C1)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)N1CCCC(C1)(C(=O)O)O
OpenEye OEToolkits 2.0.7CC(=O)N1CCC[C@@](C1)(C(=O)O)O
ACDLabs 12.01N1(CCCC(O)(C1)C(=O)O)C(C)=O
CACTVS 3.385CC(=O)N1CCC[C](O)(C1)C(O)=O
Name:(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid
ZINC: ZINC000074279613
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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