2XP

(2Z,4Z)-2-imino-6-oxohex-4-enoic acid

Created:	2012-05-23
Last modified:	2013-01-11

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1 entries where 2XP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of 2XP

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Chemical Component Summary
Name	(2Z,4Z)-2-imino-6-oxohex-4-enoic acid
Systematic Name (OpenEye OEToolkits)	(Z)-2-azanylidene-6-oxidanylidene-hex-4-enoic acid
Formula	C₆ H₇ N O₃
Molecular Weight	141.125
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(=[N@H])C/C=C\C=O
SMILES	CACTVS	3.370	OC(=O)C(=N)CC=CC=O
SMILES	OpenEye OEToolkits	1.7.6	C(C=CC=O)C(=N)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)C(=N)C\C=C/C=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	[H]/N=C(/C/C=C\C=O)\C(=O)O
InChI	InChI	1.03	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	InChI	1.03	IZBQCPKKCVTOTK-PQZOIKATSA-N

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