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BioLiP

PDB CCD ID: LEX
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O2
InChI: InChI=1S/C7H15NO2/c1-5(2)3-6(8)7(10)4-9/h5-6,9H,3-4,8H2,1-2H3/t6-/m0/s1
InChIKey: VEROGSXUMLPXMN-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)C[C@H](N)C(=O)CO
CACTVS 3.370CC(C)C[CH](N)C(=O)CO
ACDLabs 12.01O=C(C(N)CC(C)C)CO
OpenEye OEToolkits 1.7.0CC(C)CC(C(=O)CO)N
OpenEye OEToolkits 1.7.0CC(C)C[C@@H](C(=O)CO)N
Name:(3S)-3-amino-1-hydroxy-5-methylhexan-2-one
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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