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BioLiP

PDB CCD ID: LED
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O3
InChI: InChI=1S/C6H11NO3/c1-4(3-8)2-5(7)6(9)10/h3-5H,2,7H2,1H3,(H,9,10)/t4-,5+/m1/s1
InChIKey: ALVALNHXAQAJAM-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](C[CH](N)C(O)=O)C=O
OpenEye OEToolkits 1.5.0CC(CC(C(=O)O)N)C=O
OpenEye OEToolkits 1.5.0C[C@H](C[C@@H](C(=O)O)N)C=O
CACTVS 3.341C[C@H](C[C@H](N)C(O)=O)C=O
ACDLabs 10.04O=CC(C)CC(N)C(=O)O
Name:(4R)-5-OXO-L-LEUCINE
ZINC: ZINC000034870132
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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