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BioLiP

PDB CCD ID: VY9
Number of entries in BioLiP: 6
Chemical formula: C12 H23 N O4
InChI: InChI=1S/C12H23NO4/c1-2-3-4-5-6-7-10(8-11(14)15)13-9-12(16)17/h10,13H,2-9H2,1H3,(H,14,15)(H,16,17)
InChIKey: DKLSSPDDVJYWNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCC[C@@H](CC(O)=O)NCC(O)=O
CACTVS 3.385CCCCCCC[CH](CC(O)=O)NCC(O)=O
OpenEye OEToolkits 2.0.7CCCCCCCC(CC(=O)O)NCC(=O)O
OpenEye OEToolkits 2.0.7CCCCCCC[C@H](CC(=O)O)NCC(=O)O
Name:(3R)-3-(2-hydroxy-2-oxoethylamino)decanoic 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)(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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