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BioLiP

PDB CCD ID: A1H0B
Number of entries in BioLiP: 3
Chemical formula: C8 H16 B N O4
InChI: InChI=1S/C8H16BNO4/c11-8(12)7-6(3-5-10-7)2-1-4-9(13)14/h6-7,10,13-14H,1-5H2,(H,11,12)/t6-,7+/m1/s1
InChIKey: AMHQFAXDSRWEOU-RQJHMYQMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7B(CCC[C@@H]1CCN[C@@H]1C(=O)O)(O)O
CACTVS 3.385OB(O)CCC[C@@H]1CCN[C@@H]1C(O)=O
CACTVS 3.385OB(O)CCC[CH]1CCN[CH]1C(O)=O
OpenEye OEToolkits 2.0.7B(CCCC1CCNC1C(=O)O)(O)O
Name:(2~{S},3~{R})-3-[3-(dihydroxyboranyl)propyl]pyrrolidine-2-carboxylic 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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