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BioLiP

PDB CCD ID: H9O
Number of entries in BioLiP: 4
Chemical formula: C10 H9 B O4
InChI: InChI=1S/C10H9BO4/c1-6(10(12)13)9-7-4-2-3-5-8(7)11(14)15-9/h2-5,9,14H,1H2,(H,12,13)/t9-/m0/s1
InChIKey: BRBGRVSFRVLGNY-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B1(c2ccccc2C(O1)C(=C)C(=O)O)O
CACTVS 3.385OB1O[C@@H](C(=C)C(O)=O)c2ccccc12
OpenEye OEToolkits 2.0.7B1(c2ccccc2[C@@H](O1)C(=C)C(=O)O)O
CACTVS 3.385OB1O[CH](C(=C)C(O)=O)c2ccccc12
Name:2-[(3R)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid
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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