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BioLiP

PDB CCD ID: 7QH
Number of entries in BioLiP: 4
Chemical formula: C4 H4 F3 N3 O3
InChI: InChI=1S/C4H4F3N3O3/c5-4(6,7)1(2(11)12)9-10-3(8)13/h(H,11,12)(H3,8,10,13)/b9-1+
InChIKey: FPZRQHLDHOFSAY-XLUWADSXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(=NNC(=O)N)(C(=O)O)C(F)(F)F
CACTVS 3.385NC(=O)NN=C(C(O)=O)C(F)(F)F
CACTVS 3.385NC(=O)N/N=C(C(O)=O)/C(F)(F)F
ACDLabs 12.01O=C(N)N\N=C(/C(=O)O)C(F)(F)F
Name:(2E)-2-(2-carbamoylhydrazinylidene)-3,3,3-trifluoropropanoic 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)(download the PDF file).
  • 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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