SEQ2FUN

BioLiP

PDB CCD ID: CYX
Number of entries in BioLiP: 3
Chemical formula: C5 H9 O4 P
InChI: InChI=1S/C5H9O4P/c1-5(4-6)2-3-10(7,8)9/h4H,1-3H2,(H2,7,8,9)
InChIKey: UBLMBCUBDKMVMQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C(CCP(=O)(O)O)C=O
CACTVS 3.341O[P](O)(=O)CCC(=C)C=O
ACDLabs 10.04O=C\C(=C)CCP(=O)(O)O
Name:(3-FORMYL-BUT-3-ENYL)-PHOSPHONIC ACID
DrugBank: DB03211
ZINC: ZINC000006761111
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).