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BioLiP

PDB CCD ID: VP5
Number of entries in BioLiP: 3
Chemical formula: C6 H11 N O5
InChI: InChI=1S/C6H11NO5/c8-4-3(5(9)10)1-7-2-6(4,11)12/h3-4,7-8,11-12H,1-2H2,(H,9,10)/t3-,4+/m0/s1
InChIKey: VJJFPBNJYGLWRR-IUYQGCFVSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1C(C(C(CN1)(O)O)O)C(=O)O
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H](C(CN1)(O)O)O)C(=O)O
CACTVS 3.385O[CH]1[CH](CNCC1(O)O)C(O)=O
CACTVS 3.385O[C@@H]1[C@H](CNCC1(O)O)C(O)=O
Name:(3~{S},4~{R})-4,5,5-tris(oxidanyl)piperidine-3-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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