(-)-Myristoylcarnitine

Details

• Internal ID: 4c13121b-bcc3-4e70-921c-3bb49d0f97bf
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acid esters > Acyl carnitines
• IUPAC Name: (3R)-3-tetradecanoyloxy-4-(trimethylazaniumyl)butanoate
• InChI: InChI=1S/C21H41NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)26-19(17-20(23)24)18-22(2,3)4/h19H,5-18H2,1-4H3/t19-/m1/s1
• InChI Key: PSHXNVGSVNEJBD-LJQANCHMSA-N
• Popularity: 23 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₄₁NO₄
• Molecular Weight: 371.60 g/mol
• Exact Mass: 371.30355879 g/mol
• Topological Polar Surface Area (TPSA): 66.40 Ų
• XlogP: 6.60

Synonyms

• Myristoyl-L-carnitine
• L-Myristoylcarnitine
• (-)-Myristoylcarnitine
• Myristoyllevocarnitine
• (R)-Tetradecanoylcarnitine
• Myristoyl-L-(-)-carnitine
• Myristoylcarnitine, (-)-
• 3IBA3JH87O
• DTXSID601314367
• 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-((1-oxotetradecyl)oxy)-, inner salt, (2R)-
• Ammonium, (3-carboxy-2-hydroxypropyl)trimethyl-, hydroxide, inner salt, myristate, L-
• RefChem:1049121
• DTXCID001744168
• Tetradecanoylcarnitine
• (3R)-3-(tetradecanoyloxy)-4-(trimethylazaniumyl)butanoate
• Tetradecanoyl-L-carnitine
• O-tetradecanoyl-L-carnitine
• O-myristoyl-L-carnitine
• (-)-Tetradecanoylcarnitine
• (3R)-3-tetradecanoyloxy-4-(trimethylazaniumyl)butanoate
• (R)-3-(tetradecanoyloxy)-4-(trimethylammonio)butanoate
• Tetradecanoylcarnitine?
• (R)-myristoylcarnitine
• UNII-3IBA3JH87O
• O-tetradecanoyl-(R)-carnitine
• orb1706550
• CHEMBL3392072
• SCHEMBL30646751
• CHEBI:84634
• Tetradecanoylcarnitine (Standard)
• CAR(14:0)
• LMFA07070107
• MFCD28580114
• MSK159490
• AKOS037645163
• EBC-616031
• HY-113201R
• AS-57852
• Myristoyl-L-carnitine, >=97.0% (TLC)
• HY-113201
• CS-0059306
• G14520
• T17048
• (3R)-3-tetradecanoyloxy-4-(trimethylammonio)butanoate
• Q27157950
• (2R)-3-Carboxy-n,n,n-trimethyl-2-[(1-oxotetradecyl)oxy]-1-propanaminium inner salt

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL3060	Q9Y345	Glycine transporter 2	600 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	96.47%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.31%	96.09%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	94.66%	92.86%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.38%	92.08%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.47%	96.95%
CHEMBL230	P35354	Cyclooxygenase-2	90.73%	89.63%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	90.65%	97.29%
CHEMBL299	P17252	Protein kinase C alpha	90.15%	98.03%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	89.55%	95.17%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	89.21%	91.81%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.83%	94.45%
CHEMBL5255	O00206	Toll-like receptor 4	86.57%	92.50%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	86.16%	97.21%
CHEMBL2265	P23141	Acyl coenzyme A:cholesterol acyltransferase	85.12%	85.94%
CHEMBL3359	P21462	Formyl peptide receptor 1	84.08%	93.56%
CHEMBL321	P14780	Matrix metalloproteinase 9	83.56%	92.12%
CHEMBL3238	P23786	Carnitine palmitoyltransferase 2	83.35%	94.05%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	82.80%	100.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.93%	94.33%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 53477791
• LOTUS: LTS0072679
• wikiData: Q27157950