3-(Hexanoyloxy)-4-(trimethylazaniumyl)butanoate

HCID 6426853CAS 6418-78-6

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Basic information

Standard SMILES
CCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIKey
VVPRQWTYSNDTEA-UHFFFAOYSA-N
Molecular formula
C13H25NO4
Average molar mass
259.346 g/mol
Monoisotopic mass
259.17835828

Names & identifiers

Preferred name
3-(Hexanoyloxy)-4-(trimethylazaniumyl)butanoate
IUPAC
3-(Hexanoyloxy)-4-(trimethylazaniumyl)butanoate
English name
3-hexanoyloxy-4-trimethylazaniumylbutanoate
Molecular formula
C13H25NO4
Molecular weight
259.3419

Names & synonyms

HexanoylcarnitineO-hexanoylcarnitineCaproyl DL carnitine(±)-HexanoylcarnitineHexanoyl-DL-carnitineHexanoyl N-(methyl-D3)-carnitine3-hexanoyloxy-4-trimethylazaniumylbutanoate

Database identifiers

CAS
6418-78-6
PubChem CID
6426853
DTXSID
DTXSID50982706
ChEBI
CHEBI:70749

Properties

Physicochemical properties

Appearance
white solid

Chemistry & industry

Applications · 2 items

Description(C6) Hexanoylcarnitine plays an important role in energy homeostasis and is involved in the transport of fatty acids. Hexanoylcarnitine chloride is also a nonspecific acetylcholine receptor agonist. Animal experiments have demonstrated the potential of hexanoylcarnitine as a specific and readily detectable biomarker of skeletal muscle toxicity. Hexanoylcarnitine plays a role in plant defense mechanisms. Hexanoylcarnitine can be used as a precursor in the synthesis of complex compounds, and also as a standard for qualitative determination in various techniques.The product is used primarily as a control for MS/MS.

Uses(±)-Hexanoylcarnitine exists in human urine and plasma. (±)-Hexanoylcarnitine can be used as a plasma detection indicator in patients with methylmalonic aciduria, propionic acidemia, and medium-chain acyl-CoA dehydrogenase deficiency[1].

Suppliers6 total

浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
TargetMol 中国(陶术生物)400-821-0310 15002144251 · [email protected]
深圳市绿珀生物有限公司14714316277 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
佛山合硕医药科技有限公司15363639686 · [email protected]

Additional notes

DefinitionChEBI: An O-acylcarnitine compound having hexanoyl as the acyl substituent.

Related reactions

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Linked notes

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