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BioLiP

PDB CCD ID: TX4
Number of entries in BioLiP: 10
Chemical formula: C4 H12 N O8 P
InChI: InChI=1S/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/t2-,3+,4-/m0/s1
InChIKey: CSVKNYIFCYRDJM-NUNKFHFFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]([C@H](C(NO)O)O)O)OP(=O)(O)O
CACTVS 3.341ON[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C(O)NO
CACTVS 3.341ON[C@@H](O)[C@H](O)[C@@H](O)CO[P](O)(O)=O
OpenEye OEToolkits 1.5.0C(C(C(C(NO)O)O)O)OP(=O)(O)O
Name:L-THREONOHYDROXAMATE 4-PHOSPHATE
DrugBank: DB03855
ZINC: ZINC000005829810
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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