QVW

3-propyl-2-oxoglutarate

Created:	2020-08-14
Last modified:	2021-08-25

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1 entries where QVW is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	0

2D diagram of QVW

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Chemical Component Summary
Name	3-propyl-2-oxoglutarate
Synonyms	(3~{S})-2-oxidanylidene-3-propyl-pentanedioic acid
Systematic Name (OpenEye OEToolkits)	(3~{S})-2-oxidanylidene-3-propyl-pentanedioic acid
Formula	C₈ H₁₂ O₅
Molecular Weight	188.178
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCC[CH](CC(O)=O)C(=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCCC(CC(=O)O)C(=O)C(=O)O
Canonical SMILES	CACTVS	3.385	CCC[C@@H](CC(O)=O)C(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC[C@@H](CC(=O)O)C(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H12O5/c1-2-3-5(4-6(9)10)7(11)8(12)13/h5H,2-4H2,1H3,(H,9,10)(H,12,13)/t5-/m0/s1
InChIKey	InChI	1.03	RICKOBMVUQRAMO-YFKPBYRVSA-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.