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BioLiP

PDB CCD ID: LEM
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O
InChI: InChI=1S/C7H15NO/c1-5(2)4-7(8)6(3)9/h5,7H,4,8H2,1-3H3/t7-/m0/s1
InChIKey: RVCJZAGFTBLSSU-ZETCQYMHSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)C[CH](N)C(C)=O
OpenEye OEToolkits 1.5.0CC(C)CC(C(=O)C)N
ACDLabs 10.04O=C(C)C(N)CC(C)C
OpenEye OEToolkits 1.5.0CC(C)C[C@@H](C(=O)C)N
CACTVS 3.341CC(C)C[C@H](N)C(C)=O
Name:(3S)-3-amino-5-methylhexan-2-one;
Deoxy-methyl-leucine
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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