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BioLiP

PDB CCD ID: DV9
Number of entries in BioLiP: 0
Chemical formula: C6 H10 F2 N O6 P
InChI: InChI=1S/C6H10F2NO6P/c7-6(8,16(13,14)15)4(10)2-1-3(9)5(11)12/h3H,1-2,9H2,(H,11,12)(H2,13,14,15)/t3-/m0/s1
InChIKey: LABOZNZPTQOSFU-VKHMYHEASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(=O)C(F)(F)P(=O)(O)O)C(C(=O)O)N
CACTVS 3.385N[CH](CCC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
CACTVS 3.385N[C@@H](CCC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)C(F)(F)P(=O)(O)O)[C@@H](C(=O)O)N
Name:(2S)-2-azanyl-6,6-bis(fluoranyl)-5-oxidanylidene-6-phosphono-hexanoic acid
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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