SEQ2FUN

BioLiP

PDB CCD ID: 7DH
Number of entries in BioLiP: 8
Chemical formula: C5 H6 O4
InChI: InChI=1S/C5H6O4/c6-3-1-2-4(7)5(8)9/h1-2,6H,3H2,(H,8,9)/b2-1+
InChIKey: NQCOHZOKLYGXBP-OWOJBTEDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCC=CC(=O)C(O)=O
ACDLabs 12.01C(O)\C=C\C(C(=O)O)=O
OpenEye OEToolkits 2.0.6C(C=CC(=O)C(=O)O)O
CACTVS 3.385OC\C=C\C(=O)C(O)=O
Name:(3E)-5-hydroxy-2-oxopent-3-enoic acid
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).