2FO

(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid

Created:	2013-10-09
Last modified:	2020-07-29

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2 entries where 2FO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

2D diagram of 2FO

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Chemical Component Summary
Name	(2Z,3Z)-2-[(2Z)-3-hydroxyprop-2-en-1-ylidene]-3-iminobutanedioic acid
Systematic Name (OpenEye OEToolkits)	2-azanylidene-3-(3-oxidanylprop-2-enylidene)butanedioic acid
Formula	C₇ H₇ N O₅
Molecular Weight	185.134
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(=[N@H])/C(=C/C=C\O)/C(=O)O
SMILES	CACTVS	3.385	OC=CC=C(C(O)=O)C(=N)C(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(=CO)C=C(C(=N)C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	O/C=C\C=C(/C(O)=O)C(=N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(=CO)C=C(C(=N)C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=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?
InChIKey	InChI	1.03	ZJPKQPAJQMTZFR-FLYORBSUSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.