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BioLiP Library

PDB CCD ID: BZK
Number of entries in BioLiP: 0
Chemical formula: C11 H21 N O4
InChI: InChI=1S/C11H21NO4/c1-3-8(13)6-9(14)4-7(2)5-10(12)11(15)16/h7,9-10,14H,3-6,12H2,1-2H3,(H,15,16)/t7-,9+,10+/m1/s1
InChIKey: HJQMYHUTXHUJNS-JEZHCXPESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCC(=O)CC(CC(C)CC(C(=O)O)N)O
OpenEye OEToolkits 2.0.6CCC(=O)C[C@H](C[C@@H](C)C[C@@H](C(=O)O)N)O
CACTVS 3.385CCC(=O)C[C@@H](O)C[C@@H](C)C[C@H](N)C(O)=O
CACTVS 3.385CCC(=O)C[CH](O)C[CH](C)C[CH](N)C(O)=O
Name:(2S, 4S, 6S)-2-amino-6-hydroxy-4-methyl-8-oxodecanoic 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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