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BioLiP

PDB CCD ID: XDT
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O3
InChI: InChI=1S/C5H11NO3/c1-3(9-2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t3-,4-/m1/s1
InChIKey: FYCWLJLGIAUCCL-QWWZWVQMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC([C@H](C(=O)O)N)OC
CACTVS 3.385CO[CH](C)[CH](N)C(O)=O
CACTVS 3.385CO[C@H](C)[C@@H](N)C(O)=O
ACDLabs 12.01NC(C(=O)O)C(OC)C
OpenEye OEToolkits 2.0.6CC(C(C(=O)O)N)OC
Name:O-methyl-D-allothreonine
ZINC: ZINC000001700278
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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