SEQ2FUN

BioLiP

PDB CCD ID: XDL
Number of entries in BioLiP: 2
Chemical formula: C5 H9 N O2
InChI: InChI=1S/C5H9NO2/c7-4-2-1-3-6-5(4)8/h4,7H,1-3H2,(H,6,8)/t4-/m0/s1
InChIKey: RYKLZUPYJFFNRR-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[C@H]1CCCNC1=O
OpenEye OEToolkits 1.5.0C1CC(C(=O)NC1)O
CACTVS 3.341O[CH]1CCCNC1=O
OpenEye OEToolkits 1.5.0C1C[C@@H](C(=O)NC1)O
ACDLabs 10.04O=C1NCCCC1O
Name:XYLOSE-DERIVED ISOFAGOMINE LACTAM;
(3S)-3-HYDROXYPIPERIDIN-2-ONE
ZINC: ZINC000004786903
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).