BMFYS4CAp014

Basic Metabolism Top (代謝トップ)

Molecule Index (化合物索引)

EC classes ( EC分類)

Input New Data (新規入力)

Upper classes : BM Basic Metabolites : BMFY Fatty acyl 脂肪酸 :  BMFYS straight chain 鎖状 (290 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	541-50-43;483-11-2
KEGG	C00164
KNApSAcK	{{{KNApSAcK}}}
CDX file
MOL file	BMFYS4CAp014.mol

Acetoacetate
Structural Information
Systematic Name	3-Oxobutanoic acid
Common Name	Acetoacetate Acetoacetic acid beta-Ketobutyric acid
Symbol
Formula	C4H6O3
Exact Mass	102.0316
Average Mass	102.0886
SMILES	CC(=O)CC(O)=O
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Related Atomic Mappings, Enzymes, and Pathways

• (S) -3-Hydroxy-3-methyl-glutaryl-CoA ⇔ this
• this ⇔ 2- (2-Oxopropylsulfanyl) ethanesulfonic acid
• this ⇔ Acetone
• this ⇔ S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxobutanethioate
• (R)-3-Hydroxy-butanoic acid ⇔ this
• S- [2- [3- [ [ (2R) -4- [ [ [ (2R,3S,4R,5R) -5- (6-Aminopurin-9-yl) -4-hydroxy-3-phosphonooxyoxolan-2-yl] methoxy-hydroxyphosphoryl] oxy-hydroxyphosphoryl] oxy-2-hydroxy-3,3-dimethylbutanoyl] amino] propanoylamino] ethyl] 3-oxobutanethioate ⇔ this (2nd)
• 4-Fumaryl-acetoacetic acid ⇔ this
• CO2 ⇔ this

• EC1.1.1.30
• EC1.8.1.5
• EC2.8.3.5
• EC2.8.3.8
• EC2.8.3.9
• EC3.1.2.11
• EC3.7.1.2
• EC4.1.1.4
• EC4.1.3.4
• EC6.2.1.16