12-Methyltetradecanoic acid

Details

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Internal ID 6c7a5f53-1989-47df-8f69-09d227e19e74
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Long-chain fatty acids
IUPAC Name 12-methyltetradecanoic acid
SMILES (Canonical) CCC(C)CCCCCCCCCCC(=O)O
SMILES (Isomeric) CCC(C)CCCCCCCCCCC(=O)O
InChI InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17)
InChI Key XKLJLHAPJBUBNL-UHFFFAOYSA-N
Popularity 170 references in papers

Physical and Chemical Properties

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Molecular Formula C15H30O2
Molecular Weight 242.40 g/mol
Exact Mass 242.224580195 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 5.50

Synonyms

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5502-94-3
Sarcinic acid
Aseanostatin P5
ANTEISOPENTADECANOIC ACID
12-methyl myristic acid
12-methyl-tetradecanoic acid
methyl myristic acid
12-MTA
anteiso-C15:0
Tetradecanoic acid, 12-methyl-
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 12-Methyltetradecanoic acid

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.21% 96.09%
CHEMBL2581 P07339 Cathepsin D 95.69% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.17% 99.17%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 92.21% 92.26%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.86% 100.00%
CHEMBL3359 P21462 Formyl peptide receptor 1 87.52% 93.56%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.88% 96.47%
CHEMBL221 P23219 Cyclooxygenase-1 82.86% 90.17%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.52% 90.71%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 81.32% 97.29%
CHEMBL1781 P11387 DNA topoisomerase I 80.73% 97.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Antirrhinum majus
Solanum lycopersicum

Cross-Links

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PubChem 21672
LOTUS LTS0191805
wikiData Q27119789