SEQ2FUN

BioLiP

PDB CCD ID: PIV
Number of entries in BioLiP: 2
Chemical formula: C5 H10 O2
InChI: InChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKey: IUGYQRQAERSCNH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)(C)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)C(=O)O
ACDLabs 10.04O=C(O)C(C)(C)C
Name:PIVALIC ACID
ChEMBL: CHEMBL322719
ZINC: ZINC000000007993
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).