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BioLiP

PDB CCD ID: HBS
Number of entries in BioLiP: 1
Chemical formula: C4 H8 O2
InChI: InChI=1S/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3/t3-/m0/s1
InChIKey: ROWKJAVDOGWPAT-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C[C@@H](C(=O)C)O
CACTVS 3.352C[CH](O)C(C)=O
ACDLabs 11.02O=C(C)C(O)C
CACTVS 3.352C[C@H](O)C(C)=O
OpenEye OEToolkits 1.7.0CC(C(=O)C)O
Name:S,3-HYDROXYBUTAN-2-ONE
DrugBank: DB02788
ZINC: ZINC000000895238
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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