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BioLiP

PDB CCD ID: XXP
Number of entries in BioLiP: 1
Chemical formula: C6 H5 N O6
InChI: InChI=1S/C6H5NO6/c8-3-4(7(12)13)1-2-5(9)6(10)11/h1-3,8H,(H,10,11)/b2-1-,4-3+
InChIKey: UDOBAQIWFWMQMT-BXTBVDPRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=CC(=O)C(=O)O)C(=CO)[N+](=O)[O-]
ACDLabs 10.04[O-][N+](=O)C(/C=C\C(=O)C(=O)O)=C/O
CACTVS 3.341OC=C(C=CC(=O)C(O)=O)[N+]([O-])=O
CACTVS 3.341O\C=C(/C=C\C(=O)C(O)=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0C(=C/C(=O)C(=O)O)/C(=C\O)/[N+](=O)[O-]
Name:2-KETO,5-NITRO,6-HYDROXY-3,5-HEXADIENOIC ACID
ZINC: ZINC000034951246
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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