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BioLiP

PDB CCD ID: EUP
Number of entries in BioLiP: 0
Chemical formula: C4 H10 N2 O3
InChI: InChI=1S/C4H10N2O3/c5-1-2(7)3(6)4(8)9/h2-3,7H,1,5-6H2,(H,8,9)/t2-,3-/m0/s1
InChIKey: ACWKOLUJJZRCNF-HRFVKAFMSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01NC(C(=O)O)C(O)CN
OpenEye OEToolkits 2.0.6C(C(C(C(=O)O)N)O)N
OpenEye OEToolkits 2.0.6C([C@@H]([C@@H](C(=O)O)N)O)N
CACTVS 3.385NC[C@H](O)[C@H](N)C(O)=O
CACTVS 3.385NC[CH](O)[CH](N)C(O)=O
Name:4-amino-L-allothreonine
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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