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BioLiP Library

PDB CCD ID: AN0
Number of entries in BioLiP: 12
Chemical formula: C7 H13 N O3
InChI: InChI=1S/C7H13NO3/c1-3-4-6(7(10)11)8-5(2)9/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey: BSYFPUSAWVWWDG-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CCC[CH](NC(C)=O)C(O)=O
CACTVS 3.341CCC[C@H](NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)NC(=O)C
OpenEye OEToolkits 1.5.0CCC[C@@H](C(=O)O)NC(=O)C
ACDLabs 10.04O=C(NC(C(=O)O)CCC)C
Name:N-ACETYL-L-NORVALINE
ZINC: ZINC000004763049
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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