O-dodecanedioylcarnitine

Details

• Internal ID: d9d67363-4d65-41bb-9555-053e6e018fcf
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Tricarboxylic acids and derivatives
• IUPAC Name: 4-(11-carboxyundecanoyloxy)-4-(trimethylazaniumyl)butanoate
• InChI: InChI=1S/C19H35NO6/c1-20(2,3)16(14-15-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)
• InChI Key: VJPIDPQNAYWULC-UHFFFAOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₃₅NO₆
• Molecular Weight: 373.50 g/mol
• Exact Mass: 373.24643784 g/mol
• Topological Polar Surface Area (TPSA): 104.00 Ų
• XlogP: 4.20

Synonyms

• CHEBI:74121
• 4-[(11-carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate
• 4-((11-carboxyundecanoyl)oxy)-4-(trimethylammonio)butanoate
• RefChem:167194
• 4-(11-carboxyundecanoyloxy)-4-(trimethylazaniumyl)butanoate
• Dodecanedioylcarnitine
• Q27144433

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.80%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.70%	99.17%
CHEMBL2581	P07339	Cathepsin D	95.05%	98.95%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.05%	94.45%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.44%	93.56%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	81.63%	92.26%
CHEMBL340	P08684	Cytochrome P450 3A4	81.22%	91.19%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 71728376
• LOTUS: LTS0166972
• wikiData: Q27144433