QA8

(3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid

Created:	2020-05-29
Last modified:	2021-03-17

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1 entries where QA8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of QA8

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Chemical Component Summary
Name	(3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid
Systematic Name (OpenEye OEToolkits)	(3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid
Formula	C₇ H₁₀ O₅
Molecular Weight	174.151
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](CC(O)=O)C(=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	CCC(CC(=O)O)C(=O)C(=O)O
Canonical SMILES	CACTVS	3.385	CC[C@H](CC(O)=O)C(=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@H](CC(=O)O)C(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H10O5/c1-2-4(3-5(8)9)6(10)7(11)12/h4H,2-3H2,1H3,(H,8,9)(H,11,12)/t4-/m1/s1
InChIKey	InChI	1.03	SWPMNQDYIMXOTM-SCSAIBSYSA-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.