2FO

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Summary

Name:(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
Formula:C7 H7 N O5
Formal charge:0
Molecular weight:185.134 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
OpenEye OEToolkits1.7.62-azanylidene-3-(3-oxidanylprop-2-enylidene)butanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(=[N@H])/C(=C/C=C\O)/C(=O)O
InChIInChI1.03InChI=1S/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3,8-9H,(H,10,11)(H,12,13)/b3-1?,4-2-,8-5?
InChIKeyInChI1.03ZJPKQPAJQMTZFR-FLYORBSUSA-N
SMILES_CANONICALCACTVS3.385O/C=C\C=C(/C(O)=O)C(=N)C(O)=O
SMILESCACTVS3.385OC=CC=C(C(O)=O)C(=N)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6C(=CO)C=C(C(=N)C(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.6C(=CO)C=C(C(=N)C(=O)O)C(=O)O
167518
PDB entries from 2020-08-12