SEQ2FUN

BioLiP

PDB CCD ID: SHF
Number of entries in BioLiP: 12
Chemical formula: C5 H8 O3
InChI: InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-3H2,1H3,(H,7,8)
InChIKey: JOOXCMJARBKPKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(=O)CCC(=O)O
CACTVS 3.370CC(=O)CCC(O)=O
ACDLabs 12.01O=C(C)CCC(=O)O
Name:LAEVULINIC ACID;
LEVULINIC ACID
ChEMBL: CHEMBL1235931
DrugBank: DB02239
ZINC: ZINC000000586584
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).