SODIUM 3-METHYL-2-OXOBUTYRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H7O3.Na
Molecular Weight	138.097
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 3-METHYL-2-OXOBUTYRATE

SMILES

[Na+].CC(C)C(=O)C([O-])=O

InChI

InChIKey=WIQBZDCJCRFGKA-UHFFFAOYSA-M

InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1

HIDE SMILES / InChI

Molecular Formula	C5H7O3
Molecular Weight	115.1073
Charge	-1
Count	MOL RATIO 1 MOL RATIO (average)

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

Molecular Formula	Na
Molecular Weight	22.98976928
Charge	1
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
Induction of expression of branched-chain aminotransferase and alpha-keto acid dehydrogenase in rat tissues during lactation.	2001	11787736
Channeling of substrates and intermediates in enzyme-catalyzed reactions.	2001	11395405
Psychrophilic valine dehydrogenase of the antarctic psychrophile, Cytophaga sp. KUC-1: purification, molecular characterization and expression.	2001 Aug	11502197
Roles of active site and novel K+ ion-binding site residues in human mitochondrial branched-chain alpha-ketoacid decarboxylase/dehydrogenase.	2001 Feb 9	11069910
Gene preference in maple syrup urine disease.	2001 Jan	11112664

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Substance Class	Chemical
Record UNII	5OM3H751IU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FEMA NO. 3869, SODIUM SALT-

Preferred Name

English

SODIUM 3-METHYL-2-OXOBUTYRATE

Systematic Name

English

3-METHYL-2-OXOBUTANOIC ACID SODIUM SALT

Common Name

English

SODIUM .ALPHA.-KETOISOVALERATE

Systematic Name

English

SODIUM .ALPHA.-OXOISOVALERATE

Systematic Name

English

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Code System

Code

Type

Description

EPA CompTox

DTXSID60190633

PRIMARY

EVMPD

SUB12201MIG

PRIMARY

ECHA (EC/EINECS)

223-062-2

PRIMARY

CAS

3715-29-5

PRIMARY

FDA UNII

5OM3H751IU

PRIMARY

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Related Record

Type

Details


					34P71D50E0

3-METHYL-2-OXOBUTYRIC ACID

PARENT -> SALT/SOLVATE

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