SEQ2FUN

BioLiP

PDB CCD ID: CGN
Number of entries in BioLiP: 0
Chemical formula: C5 H7 N O2
InChI: InChI=1S/C5H7NO2/c7-3-4-1-2-5(8)6-4/h3-4H,1-2H2,(H,6,8)/t4-/m0/s1
InChIKey: XBGYMVTXOUKXLG-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CC(=O)N[C@@H]1C=O
CACTVS 3.341O=C[CH]1CCC(=O)N1
CACTVS 3.341O=C[C@@H]1CCC(=O)N1
ACDLabs 10.04O=CC1NC(=O)CC1
OpenEye OEToolkits 1.5.0C1CC(=O)NC1C=O
Name:5-OXO-PYRROLIDINE-2-CARBALDEHYDE
DrugBank: DB03901
ZINC: ZINC000005133419
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).