SEQ2FUN

BioLiP

PDB CCD ID: KPV
Number of entries in BioLiP: 6
Chemical formula: C11 H12 O3
InChI: InChI=1S/C11H12O3/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,13,14)
InChIKey: MJXXAPORLGKVLB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC(=O)C(=O)CCCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCCC(=O)C(=O)O
ACDLabs 10.04O=C(O)C(=O)CCCc1ccccc1
Name:5-PHENYL-2-KETO-VALERIC ACID;
2-OXO-5-PHENYLPENTANOIC ACID
DrugBank: DB08050
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).