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BioLiP Library

PDB CCD ID: CKU
Number of entries in BioLiP: 2
Chemical formula: C9 H17 N O4
InChI: InChI=1S/C9H17NO4/c1-2-3-10-4-6(9(13)14)8(12)7(11)5-10/h6-8,11-12H,2-5H2,1H3,(H,13,14)/t6-,7+,8+/m0/s1
InChIKey: RNWXBQBXRPVHBZ-XLPZGREQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCN1C[C@@H]([C@H]([C@@H](C1)O)O)C(=O)O
OpenEye OEToolkits 2.0.7CCCN1CC(C(C(C1)O)O)C(=O)O
CACTVS 3.385CCCN1C[CH](O)[CH](O)[CH](C1)C(O)=O
CACTVS 3.385CCCN1C[C@@H](O)[C@H](O)[C@H](C1)C(O)=O
Name:(3~{S},4~{R},5~{R})-4,5-bis(oxidanyl)-1-propyl-piperidine-3-carboxylic acid
ChEMBL: CHEMBL4441158
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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