YKG

[(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid

Created:	2018-04-17
Last modified:	2019-04-17

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2 entries where YKG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	6

2D diagram of YKG

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Chemical Component Summary
Name	[(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Systematic Name (OpenEye OEToolkits)	(5-bromanyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylphosphonic acid
Formula	C₁₁ H₁₀ Br O₅ P
Molecular Weight	333.072
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc2cc(Br)c1C(CP(=O)(O)O)=CC(=O)Oc1c2
SMILES	CACTVS	3.385	Cc1cc(Br)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O
SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O
Canonical SMILES	CACTVS	3.385	Cc1cc(Br)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cc2c(c(c1)Br)C(=CC(=O)O2)CP(=O)(O)O
InChI	InChI	1.03	InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)
InChIKey	InChI	1.03	AVDUOTYJUPESMO-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	130427303

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.