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BioLiP Library

PDB CCD ID: O7A
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O3
InChI: InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4-/m0/s1
InChIKey: CCAIIPMIAFGKSI-IMJSIDKUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C(C(=O)O)NC)O
OpenEye OEToolkits 2.0.7C[C@@H]([C@@H](C(=O)O)NC)O
CACTVS 3.385CN[C@@H]([C@H](C)O)C(O)=O
ACDLabs 12.01CNC(C(=O)O)C(O)C
CACTVS 3.385CN[CH]([CH](C)O)C(O)=O
Name:N-methyl-L-allothreonine
ZINC: ZINC000013352720
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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