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BioLiP

PDB CCD ID: ALQ
Number of entries in BioLiP: 4
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKey: KQNPFQTWMSNSAP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)C(O)=O
OpenEye OEToolkits 1.7.0CC(C)C(=O)O
ACDLabs 12.01O=C(O)C(C)C
Name:2-METHYL-PROPIONIC ACID
ChEMBL: CHEMBL108778
DrugBank: DB02531
ZINC: ZINC000000901420
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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