4AT

5-OXOHEXANOIC ACID

Created:	2007-02-28
Last modified:	2021-03-01

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1 entries where 4AT is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	18
Aromatic Bond Count	0

2D diagram of 4AT

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Chemical Component Summary
Name	5-OXOHEXANOIC ACID
Synonyms	4-ACETYLBUTYRIC ACID
Systematic Name (OpenEye OEToolkits)	5-oxohexanoic acid
Formula	C₆ H₁₀ O₃
Molecular Weight	130.142
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(C)CCCC(=O)O
SMILES	CACTVS	3.341	CC(=O)CCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(=O)CCCC(=O)O
Canonical SMILES	CACTVS	3.341	CC(=O)CCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(=O)CCCC(=O)O
InChI	InChI	1.03	InChI=1S/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
InChIKey	InChI	1.03	MGTZCLMLSSAXLD-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	18407
ChEBI	CHEBI:15888

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