SEQ2FUN

BioLiP

PDB CCD ID: 7BC
Number of entries in BioLiP: 2
Chemical formula: C6 H8 O4
InChI: InChI=1S/C6H8O4/c1-2-6(9)10-4-3-5(7)8/h2H,1,3-4H2,(H,7,8)
InChIKey: CYUZOYPRAQASLN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)CCOC(=O)C=C
OpenEye OEToolkits 2.0.6C=CC(=O)OCCC(=O)O
ACDLabs 12.01O=C(OCCC(=O)O)[C@H]=C
Name:3-(acryloyloxy)propanoic acid
ChEMBL: CHEMBL3185107
ZINC: ZINC000002389977
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).