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BioLiP

PDB CCD ID: TBG
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O2
InChI: InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m1/s1
InChIKey: NPDBDJFLKKQMCM-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)(C)[C@@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)C(C)(C)C
CACTVS 3.370CC(C)(C)[CH](N)C(O)=O
OpenEye OEToolkits 1.7.0CC(C)(C)C(C(=O)O)N
CACTVS 3.370CC(C)(C)[C@H](N)C(O)=O
Name:3-methyl-L-valine
ZINC: ZINC000000164935
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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