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BioLiP Library

PDB CCD ID: C55
Number of entries in BioLiP: 0
Chemical formula: C8 H11 N3 O7
InChI: InChI=1S/C8H11N3O7/c12-5(9-2-7(14)15)1-11-18-4-6(13)10-3-8(16)17/h1H,2-4H2,(H,9,12)(H,10,13)(H,14,15)(H,16,17)/b11-1+
InChIKey: XMSCOUQNHLJSRL-QQDOKKFESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0C(C(=O)O)NC(=O)CON=CC(=O)NCC(=O)O
CACTVS 3.385OC(=O)CNC(=O)CO/N=C/C(=O)NCC(O)=O
ACDLabs 12.01O=C(CO/N=C/C(=O)NCC(=O)O)NCC(=O)O
CACTVS 3.385OC(=O)CNC(=O)CON=CC(=O)NCC(O)=O
Name:(7E)-4,9-dioxo-6-oxa-3,7,10-triazadodec-7-ene-1,12-dioic 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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