SODIUM 3-METHYL-2-OXOPENTANOATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C6H9O3.Na
Molecular Weight	152.1236
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SODIUM 3-METHYL-2-OXOPENTANOATE

SMILES

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

InChI

InChIKey=SMDJDLCNOXJGKC-UHFFFAOYSA-M

InChI=1S/C6H10O3.Na/c1-3-4(2)5(7)6(8)9;/h4H,3H2,1-2H3,(H,8,9);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula	C6H9O3
Molecular Weight	129.1339
Charge	-1
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

Show entries

Title	Date	PubMed
Substrate specificity and kinetic isotope effect analysis of the Eschericia coli ketopantoate reductase.	2003 Sep 30	14503879
The role of free amino acids in semen of rainbow trout Oncorhynchus mykiss and carp Cyprinus carpio.	2009 Sep	20738581
The effects of branched-chain amino acid interactions on growth performance, blood metabolites, enzyme kinetics and transcriptomics in weaned pigs.	2010 Apr	20196890
Metabolic changes reveal the development of schistosomiasis in mice.	2010 Aug 31	20824219
Genome sequence of the pea aphid Acyrthosiphon pisum.	2010 Feb 23	20186266

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Patents

Substance Class	Chemical
Record UNII	2S329HH8M0
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

FEMA NO. 3870, SODIUM SALT-

Preferred Name

English

SODIUM 3-METHYL-2-OXOPENTANOATE

Systematic Name

English

SODIUM 3-METHYL-2-OXOVALERATE

Systematic Name

English

SODIUM .ALPHA.-KETO-.BETA.-METHYLVALERATE

Systematic Name

English

3-METHYL-2-OXOPENTANOIC ACID, SODIUM SALT

Common Name

English

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Code System

Code

Type

Description

JECFA MONOGRAPH

1469

PRIMARY

FDA UNII

2S329HH8M0

PRIMARY

PUBCHEM

2724058

PRIMARY

ECHA (EC/EINECS)

223-063-8

PRIMARY

EPA CompTox

DTXSID30958348

PRIMARY

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Related Record

Type

Details


					787T50HCIV

3-ETHYL-3-METHYLPYRUVIC ACID

PARENT -> SALT/SOLVATE

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