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4-trimethylammoniobutanoate , CAS No.407-64-7

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4-trimethylammoniobutanoate , CAS No.407-64-7

COA

Grade & Purity:

Moligand™

Cas Number: 407-64-7
EC Number: 609-863-3
PubChem CID: 725

In stock

Item Number

T607200

Grouped product items
SKU	Size	Availability	Price	Qty
T607200-25μg	25μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,337.90
T607200-100μg	100μg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,340.90

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Metabolite (5307)

Basic Description

Synonyms	GBB \| JHPNVNIEXXLNTR-UHFFFAOYSA-N \| 4-trimethylazaniumylbutanoate \| BCP29262 \| Butyrobetaine \| 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-, hydroxide, inner salt (9CI) \| 2wsx \| Ammonium, (3-carboxypropyl)trimethyl-, hydroxide, inner salt \| Actinine \| CHEB
Specifications & Purity	Moligand™
Grade	Moligand™

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty acids and conjugates

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty acids and conjugates
Intermediate Tree Nodes	Not available
Direct Parent	Straight chain fatty acids
Alternative Parents	Tetraalkylammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework	Aliphatic acyclic compounds
Substituents	Straight chain fatty acid - Quaternary ammonium salt - Tetraalkylammonium salt - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Amine - Hydrocarbon derivative - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as straight chain fatty acids. These are fatty acids with a straight aliphatic chain.
External Descriptors	an N-substituted amino acid
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Slc22a5 Solute carrier family 22 member 5 (44 Activities)

Discover Target: Slc22a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-(trimethylazaniumyl)butanoate
INCHI	InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
InChIKey	JHPNVNIEXXLNTR-UHFFFAOYSA-N
Smiles	C[N+](C)(C)CCCC(=O)[O-]
Isomeric SMILES	C[N+](C)(C)CCCC(=O)[O-]
Alternate CAS	407-64-7
PubChem CID	725
MeSH Entry Terms	4-N-trimethylammonium butyrate;4-trimethylaminobutyrate;butyrobetaine;deoxy-carnitine;deoxycarnitine;gamma-butyrobetaine

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	145.200 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	145.11 Da
Monoisotopic Mass	145.11 Da
Topological Polar Surface Area	40.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	110.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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