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BioLiP

PDB CCD ID: MKD
Number of entries in BioLiP: 0
Chemical formula: C9 H19 N O2
InChI: InChI=1S/C9H19NO2/c1-3-4-5-6-7-9(2,10)8(11)12/h3-7,10H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKey: ZVGFZQSYGLIZHE-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCC[C@@](C)(C(=O)O)N
CACTVS 3.385CCCCCC[C](C)(N)C(O)=O
OpenEye OEToolkits 1.7.6CCCCCCC(C)(C(=O)O)N
CACTVS 3.385CCCCCC[C@](C)(N)C(O)=O
ACDLabs 12.01O=C(O)C(N)(CCCCCC)C
Name:(2S)-2-amino-2-methyloctanoic acid
ZINC: ZINC000001652266
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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