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BioLiP

PDB CCD ID: SEE
Number of entries in BioLiP: 1
Chemical formula: C3 H9 B N O6
InChI: InChI=1S/C3H9BNO6/c5-2(3(6)7)1-11-4(8,9)10/h2,8-10H,1,5H2,(H,6,7)/q-1/t2-/m0/s1
InChIKey: IVIUHRYRMDVYGR-REOHCLBHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[B-](O)(O)(O)OC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0[B-](O)(O)(O)OCC(C(=O)O)N
CACTVS 3.341N[C@@H](CO[B-](O)(O)O)C(O)=O
ACDLabs 10.04O=C(O)C(N)CO[B-](O)(O)O
CACTVS 3.341N[CH](CO[B-](O)(O)O)C(O)=O
Name:trihydroxy(L-serinato-kappaO~3~)borate(1-)
ZINC: ZINC000198032391
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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