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BioLiP

PDB CCD ID: 0EH
Number of entries in BioLiP: 0
Chemical formula: C10 H21 N O2
InChI: InChI=1S/C10H21NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h3-8,11H2,1-2H3,(H,12,13)/t10-/m1/s1
InChIKey: MLEJPUOWUJAQAF-SNVBAGLBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC(C)(C(=O)O)N
ACDLabs 12.01O=C(O)C(N)(CCCCCCC)C
CACTVS 3.370CCCCCCC[C](C)(N)C(O)=O
OpenEye OEToolkits 1.7.6CCCCCCC[C@](C)(C(=O)O)N
CACTVS 3.370CCCCCCC[C@@](C)(N)C(O)=O
Name:(2R)-2-amino-2-methylnonanoic acid
ZINC: ZINC000098207795
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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