JX7

5-carbamimidamido-2-oxopentanoic acid

Created:	2018-10-08
Last modified:	2018-11-21

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1 entries where JX7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of JX7

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Chemical Component Summary
Name	5-carbamimidamido-2-oxopentanoic acid
Systematic Name (OpenEye OEToolkits)	5-carbamimidamido-2-oxidanylidene-pentanoic acid
Formula	C₆ H₁₁ N₃ O₃
Molecular Weight	173.17
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CCCNC(=N)\N)C(O)=O
SMILES	CACTVS	3.385	NC(=N)NCCCC(=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	C(CC(=O)C(=O)O)CNC(=N)N
Canonical SMILES	CACTVS	3.385	NC(=N)NCCCC(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	[H]/N=C(/N)\NCCCC(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
InChIKey	InChI	1.03	ARBHXJXXVVHMET-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	25244978, 558
ChEBI	CHEBI:58489, CHEBI:28116

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.