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BioLiP

PDB CCD ID: R6E
Number of entries in BioLiP: 0
Chemical formula: C10 H21 N O2
InChI: InChI=1S/C10H21NO2/c1-3-5-6-7-8-10(11,4-2)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey: NKBJUCYPZSRVDF-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCC(CC)(C(=O)O)N
OpenEye OEToolkits 2.0.7CCCCCC[C@](CC)(C(=O)O)N
CACTVS 3.385CCCCCC[C](N)(CC)C(O)=O
CACTVS 3.385CCCCCC[C@](N)(CC)C(O)=O
Name:(2~{R})-2-azanyl-2-ethyl-octanoic acid
ZINC: ZINC000002547631
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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