AAE

ACETOACETIC ACID

Find entries where: AAE

is present as a standalone ligand in 11 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 3 entries

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Chemical Component Summary
Name	ACETOACETIC ACID
Identifiers	3-oxobutanoic acid
Formula	C₄ H₆ O₃
Molecular Weight	102.089
Type	NON-POLYMER
Isomeric SMILES	CC(=O)CC(=O)O
InChI	InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
InChIKey	WDJHALXBUFZDSR-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	12
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB01762
Name	Acetoacetic acid
Groups	experimental
Synonyms	Acetoacetic acid 3-Oxobutanoic acid 3-ketobutanoic acid 3-Oxobutyric acid beta-Ketobutyric acid 3-Ketobutyric acid
Categories	Keto Acids Ketone Bodies Ketones
CAS number	541-50-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Fumarylacetoacetase	MSFIPVAEDSDFPIHNLPYGVFSTRGDPRPRIGVAIGDQILDLSIIKHLF...	unknown
Monocarboxylate transporter 2	MPPMPSAPPVHPPPDGGWGWIVVGAAFISIGFSYAFPKAVTVFFKEIQQI...	unknown	inhibitor
Monocarboxylate transporter 1	MPPAVGGPVGYTPPDGGWGWAVVIGAFISIGFSYAFPKSITVFFKEIEGI...	unknown	substrate,inhibitor
Monocarboxylate transporter 4	MGGAVVDEGPTGVKAPDGGWGWAVLFGCFVITGFSYAFPKAVSVFFKELI...	unknown	substrate
Sodium-coupled monocarboxylate transporter 1	MDTPRGIGTFVVWDYVVFAGMLVISAAIGIYYAFAGGGQQTSKDFLMGGR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682