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BioLiP

PDB CCD ID: FSG
Number of entries in BioLiP: 1
Chemical formula: C2 H5 F N O5 P
InChI: InChI=1S/C2H5FNO5P/c3-1(2(5)4-6)10(7,8)9/h1,6H,(H,4,5)(H2,7,8,9)/t1-/m0/s1
InChIKey: PDPXHRBRYUQCQA-SFOWXEAESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@H](C(=O)NO)(F)P(=O)(O)O
CACTVS 3.341ONC(=O)[CH](F)[P](O)(O)=O
ACDLabs 10.04O=C(NO)C(F)P(=O)(O)O
OpenEye OEToolkits 1.5.0C(C(=O)NO)(F)P(=O)(O)O
CACTVS 3.341ONC(=O)[C@@H](F)[P](O)(O)=O
Name:[(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OXOETHYL]PHOSPHONIC ACID
ZINC: ZINC000038139027
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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