Myristelaidic acid

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	1348c7b9-c2ee-4e5e-b62f-7b8f663a2a40
Taxonomy	Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name	(E)-tetradec-9-enoic acid
SMILES (Canonical)	CCCCC=CCCCCCCCC(=O)O
SMILES (Isomeric)	CCCC/C=C/CCCCCCCC(=O)O
InChI	InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h5-6H,2-4,7-13H2,1H3,(H,15,16)/b6-5+
InChI Key	YWWVWXASSLXJHU-AATRIKPKSA-N
Popularity	81 references in papers

Physical and Chemical Properties

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Molecular Formula	C₁₄H₂₆O₂
Molecular Weight	226.35 g/mol
Exact Mass	226.193280068 g/mol
Topological Polar Surface Area (TPSA)	37.30 Å²
XlogP	5.10

Synonyms

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50286-30-1

(E)-tetradec-9-enoic acid

9E-tetradecenoic acid

trans-9-Tetradecenoic acid

9-Tetradecenoic acid, (9E)-

C14:1n-5

(E)-9-Tetradecenoicacid

(9E)-9-Tetradecenoic acid

(9E)-tetradec-9-enoic acid

0WAJ36526B

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3060	Q9Y345	Glycine transporter 2	97.59%	99.17%
CHEMBL2581	P07339	Cathepsin D	95.90%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.07%	96.09%
CHEMBL1781	P11387	DNA topoisomerase I	92.74%	97.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	91.70%	92.08%
CHEMBL221	P23219	Cyclooxygenase-1	88.58%	90.17%
CHEMBL230	P35354	Cyclooxygenase-2	85.40%	89.63%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.37%	96.95%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.34%	93.56%
CHEMBL2001	Q9H244	Purinergic receptor P2Y12	81.31%	96.00%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	80.82%	92.26%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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