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BioLiP

PDB CCD ID: CN0
Number of entries in BioLiP: 2
Chemical formula: C6 H11 N O5
InChI: InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5+/m0/s1
InChIKey: ZHFMVVUVCALAMY-QMKXCQHVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H]([C@@H]([C@H](N1)C(=O)O)O)O)O
OpenEye OEToolkits 2.0.7C1C(C(C(C(N1)C(=O)O)O)O)O
CACTVS 3.385O[CH]1CN[CH]([CH](O)[CH]1O)C(O)=O
CACTVS 3.385O[C@H]1CN[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
Name:(2~{S},3~{R},4~{R},5~{S})-3,4,5-tris(oxidanyl)piperidine-2-carboxylic acid
ChEMBL: CHEMBL442895
ZINC: ZINC000013523236
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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