SEQ2FUN

BioLiP

PDB CCD ID: 9TS
Number of entries in BioLiP: 0
Chemical formula: C5 H8 O2
InChI: InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKey: YIYBQIKDCADOSF-ONEGZZNKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC=CC(=O)O
OpenEye OEToolkits 2.0.6CC/C=C/C(=O)O
ACDLabs 12.01C(\C=C\CC)(O)=O
CACTVS 3.385CCC=CC(O)=O
CACTVS 3.385CC/C=C/C(O)=O
Name:(2E)-pent-2-enoic acid
ChEMBL: CHEMBL115668
ZINC: ZINC000001634091
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).