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BioLiP Library

PDB CCD ID: 6R8
Number of entries in BioLiP: 9
Chemical formula: C7 H8 N2 O5
InChI: InChI=1S/C7H8N2O5/c8-7(12)2-1-4(9(13)14)3-5(7)6(10)11/h1,3,12H,2,8H2,(H,10,11)/t7-/m1/s1
InChIKey: YMJMMSMKJXYRPV-SSDOTTSWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5C1C=C(C=C([C@]1(N)O)C(=O)O)[N+](=O)[O-]
OpenEye OEToolkits 2.0.5C1C=C(C=C(C1(N)O)C(=O)O)[N+](=O)[O-]
CACTVS 3.385N[C]1(O)CC=C(C=C1C(O)=O)[N+]([O-])=O
CACTVS 3.385N[C@@]1(O)CC=C(C=C1C(O)=O)[N+]([O-])=O
Name:(6~{R})-6-azanyl-3-nitro-6-oxidanyl-cyclohexa-1,3-diene-1-carboxylic acid
ZINC: ZINC000584905256
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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