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BioLiP Library

PDB CCD ID: AB5
Number of entries in BioLiP: 0
Chemical formula: C6 H16 B N O5
InChI: InChI=1S/C6H15BNO5/c8-5(6(9)10)3-1-2-4-7(11,12)13/h5,11-13H,1-4,8H2,(H,9,10)/q-1/p+1/t5-/m0/s1
InChIKey: BLVGFZFOWWBCCZ-YFKPBYRVSA-O
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[B-](CCCC[C@@H](C(=O)O)[NH3+])(O)(O)O
OpenEye OEToolkits 1.5.0[B-](CCCCC(C(=O)O)[NH3+])(O)(O)O
CACTVS 3.341[NH3+][CH](CCCC[B-](O)(O)O)C(O)=O
ACDLabs 10.04O=C(O)C(CCCC[B-](O)(O)O)[NH3+]
CACTVS 3.341[NH3+][C@@H](CCCC[B-](O)(O)O)C(O)=O
Name:2(S)-AMINO-6-BORONOHEXANOIC 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)(download the PDF file).
  • 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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