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BioLiP

PDB CCD ID: YCH
Number of entries in BioLiP: 12
Chemical formula: C3 H7 B O4
InChI: InChI=1S/C3H7BO4/c5-1-3-2-7-4(6)8-3/h3,5-6H,1-2H2/t3-/m0/s1
InChIKey: HXGHIZVNPXUHFK-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1COB(O)O1
CACTVS 3.385OC[C@H]1COB(O)O1
OpenEye OEToolkits 2.0.7B1(OCC(O1)CO)O
OpenEye OEToolkits 2.0.7B1(OC[C@@H](O1)CO)O
Name:[(4~{S})-2-oxidanyl-1,3,2-dioxaborolan-4-yl]methanol
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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