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BioLiP

PDB CCD ID: 2QZ
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O3
InChI: InChI=1S/C6H13NO3/c1-4(8)5(6(9)10)7(2)3/h4-5,8H,1-3H3,(H,9,10)/t4-,5+/m1/s1
InChIKey: CIVVRPHZRYVSCF-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H](O)[C@H](N(C)C)C(O)=O
CACTVS 3.385C[CH](O)[CH](N(C)C)C(O)=O
OpenEye OEToolkits 1.7.6CC(C(C(=O)O)N(C)C)O
OpenEye OEToolkits 1.7.6C[C@H]([C@@H](C(=O)O)N(C)C)O
ACDLabs 12.01O=C(O)C(N(C)C)C(O)C
Name:N,N-dimethyl-L-threonine
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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