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BioLiP

PDB CCD ID: E9O
Number of entries in BioLiP: 6
Chemical formula: C15 H29 N O4
InChI: InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-9-11-13(15(19)20)14(18)12(17)10-16-11/h11-14,16-18H,2-10H2,1H3,(H,19,20)/t11-,12+,13-,14-/m0/s1
InChIKey: PFGVLKMJAGVUAN-CRWXNKLISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]1C(O)=O
CACTVS 3.385CCCCCCCCC[CH]1NC[CH](O)[CH](O)[CH]1C(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCCCC1C(C(C(CN1)O)O)C(=O)O
OpenEye OEToolkits 2.0.7CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](CN1)O)O)C(=O)O
Name:(2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(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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