SEQ2FUN

BioLiP

PDB CCD ID: SHO
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O3
InChI: InChI=1S/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
InChIKey: PHOJOSOUIAQEDH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCO
OpenEye OEToolkits 1.5.0C(CCO)CC(=O)O
Name:5-HYDROXYLAEVULINIC ACID;
5-HYDROXYPENTANOIC ACID
ChEMBL: CHEMBL1205948
DrugBank: DB04781
ZINC: ZINC000001529525
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).