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BioLiP

PDB CCD ID: TH5
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O4
InChI: InChI=1S/C6H11NO4/c1-3(11-4(2)8)5(7)6(9)10/h3,5H,7H2,1-2H3,(H,9,10)/t3-,5+/m1/s1
InChIKey: GOVSRIMJZNIFHS-WUJLRWPWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C(=O)O)N)OC(=O)C
CACTVS 3.341C[CH](OC(C)=O)[CH](N)C(O)=O
CACTVS 3.341C[C@@H](OC(C)=O)[C@H](N)C(O)=O
ACDLabs 10.04O=C(OC(C(N)C(=O)O)C)C
OpenEye OEToolkits 1.5.0CC(C(C(=O)O)N)OC(=O)C
Name:O-acetyl-L-threonine
ZINC: ZINC000002556509
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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