SEQ2FUN

BioLiP

PDB CCD ID: CL5
Number of entries in BioLiP: 1
Chemical formula: C5 H9 N O3
InChI: InChI=1S/C5H9NO3/c7-3-1-2-6-4-5(8)9/h3,6H,1-2,4H2,(H,8,9)
InChIKey: KCNYJRBIWGISEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CNCC(=O)O)C=O
CACTVS 3.341OC(=O)CNCCC=O
ACDLabs 10.04O=CCCNCC(=O)O
Name:N-(3-OXOPROPYL)GLYCINE;
FRAGMENT OF CLAVULANIC ACID
ZINC: ZINC000016052187
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).