ACETOACETIC ACID

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H6O3
Molecular Weight	102.0886
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ACETOACETIC ACID

SMILES

CC(=O)CC(O)=O

InChI

InChIKey=WDJHALXBUFZDSR-UHFFFAOYSA-N

InChI=1S/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)

HIDE SMILES / InChI

Molecular Formula	C4H6O3
Molecular Weight	102.0886
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
The oxidation of citramalic acid and beta-hydroxyglutaric acid to acetoacetic acid and the possible significance of citramalic acid in plant metabolism.	1954 May	13160012
The determination of ketone bodies: preanalytical, analytical and physiological considerations.	2001 Dec	11918279
Effects of a non-starch polysaccharidase enzyme preparation from Thermomyces lanuginosus on energy and protein metabolism and milk yield of dairy cattle.	2002	12498145
Relationship between concentration of citrate and ketone bodies in cow's milk.	2002	12237966
Acetoacetate, acetone, and dibenzylamine (a contaminant in l-(+)-beta-hydroxybutyrate) exhibit direct anticonvulsant actions in vivo.	2002 Apr	11952765

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Substance Class	Chemical
Record UNII	4ZI204Y1MC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACETOACETIC ACID [MI]

Preferred Name

English

ACETOACETIC ACID

Systematic Name

English

.ALPHA.-KETOBUTYRATE

Systematic Name

English

3-OXOBUTYRIC ACID

Systematic Name

English

3-KETOBUTYRATE

Systematic Name

English

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Code System

Code

Type

Description

SMS_ID

100000165775

PRIMARY

DRUG BANK

DB01762

PRIMARY

PUBCHEM

96

PRIMARY

MERCK INDEX

m1328

PRIMARY

Merck Index

FDA UNII

4ZI204Y1MC

PRIMARY

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Amount:

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					4ZI204Y1MC

ACETOACETIC ACID

ACTIVE MOIETY

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