SEQ2FUN

BioLiP

PDB CCD ID: HBR
Number of entries in BioLiP: 2
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m1/s1
InChIKey: ROWKJAVDOGWPAT-GSVOUGTGSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352C[C@@H](O)C(C)=O
CACTVS 3.352C[CH](O)C(C)=O
OpenEye OEToolkits 1.7.0C[C@H](C(=O)C)O
ACDLabs 11.02O=C(C)C(O)C
OpenEye OEToolkits 1.7.0CC(C(=O)C)O
Name:R,3-HYDROXYBUTAN-2-ONE
DrugBank: DB04364
ZINC: ZINC000000895240
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).