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BioLiP Library

PDB CCD ID: 2XP
Number of entries in BioLiP: 1
Chemical formula: C6 H7 N O3
InChI: InChI=1S/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-2,4,7H,3H2,(H,9,10)/b2-1-,7-5-
InChIKey: IZBQCPKKCVTOTK-PQZOIKATSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(=[N@H])C/C=C\C=O
CACTVS 3.370OC(=O)C(=N)C\C=C/C=O
CACTVS 3.370OC(=O)C(=N)CC=CC=O
OpenEye OEToolkits 1.7.6C(C=CC=O)C(=N)C(=O)O
OpenEye OEToolkits 1.7.6[H]/N=C(/C/C=C\C=O)\C(=O)O
Name:(2Z,4Z)-2-imino-6-oxohex-4-enoic 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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