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BioLiP

PDB CCD ID: YTH
Number of entries in BioLiP: 0
Chemical formula: C4 H10 N O6 P
InChI: InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)/t2-,3-/m0/s1
InChIKey: USRGIUJOYOXOQJ-HRFVKAFMSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](O[P](O)(O)=O)[CH](N)C(O)=O
OpenEye OEToolkits 1.9.2C[C@@H]([C@@H](C(=O)O)N)OP(=O)(O)O
ACDLabs 12.01O=P(OC(C)C(N)C(=O)O)(O)O
CACTVS 3.385C[C@H](O[P](O)(O)=O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.9.2CC(C(C(=O)O)N)OP(=O)(O)O
Name:O-phosphono-L-allothreonine
ChEMBL: CHEMBL1742182
ZINC: ZINC000001574931
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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