12-Aminododecanoic Acid

Details

• Internal ID: e1f80c33-99ab-4c68-9d71-de58d0393b8f
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Medium-chain fatty acids
• IUPAC Name: 12-aminododecanoic acid
• InChI: InChI=1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
• InChI Key: PBLZLIFKVPJDCO-UHFFFAOYSA-N
• Popularity: 140 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₅NO₂
• Molecular Weight: 215.33 g/mol
• Exact Mass: 215.188529040 g/mol
• Topological Polar Surface Area (TPSA): 63.30 Ų
• XlogP: -0.50

Synonyms

• 693-57-2
• 12-Aminolauric acid
• 12-AMINO-DODECANOIC ACID
• Dodecanoic acid, 12-amino-
• Omega-Aminododecanoic acid
• omega-Aminolauric acid
• 9042RP777G
• CHEBI:42025
• DTXSID90883480
• RefChem:437322
• 12-amino-n-dodecanoic acid
• DTXCID1020803
• 211-754-7
• MFCD00008153
• 12-aminododecanic acid
• .omega.-Aminolauric acid
• 25768-33-6
• CCRIS 6171
• EINECS 211-754-7
• UNII-9042RP777G
• 12-Aminododecanoicacid
• 12-Ado-OH
• EC 211-754-7
• SCHEMBL35594
• CHEMBL371701
• SCHEMBL1536473
• 12-Aminododecanoic acid, 95%
• NH2-(CH2)11-COOH
• .LAMBDA.-AMINOLAURIC ACID
• .OMEGA.-AMINODODECANOIC ACID
• AMINODODECANOIC ACID, OMEGA-
• LMFA01100005
• MSK166329
• SBB058890
• AKOS000121401
• FA49092
• HY-W105740
• MSK166329-1000M
• NCGC00164406-01
• AS-16036
• BP-28234
• SY008929
• DB-055258
• A0932
• CS-0158382
• NS00006072
• ST50825650
• EN300-21176
• E76112
• F493048
• Q27271277
• 12-Aminododecanic acid Solution in Methanol, 1000ug/mL
• 12-Aminododecanoic acid 100 microg/mL in Acetonitrile:Acetic acid

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
CHEMBL2903	P16050	Arachidonate 15-lipoxygenase	5 nM	Potency	via Super-PRED
CHEMBL1947	P10828	Thyroid hormone receptor beta-1	398.1 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.60%	96.09%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.29%	99.17%
CHEMBL5285	Q99683	Mitogen-activated protein kinase kinase kinase 5	89.95%	92.26%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.31%	91.11%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.57%	96.95%
CHEMBL4581	P52732	Kinesin-like protein 1	83.60%	93.18%
CHEMBL3492	P49721	Proteasome Macropain subunit	82.02%	90.24%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	81.28%	97.21%
CHEMBL1255126	O15151	Protein Mdm4	80.47%	90.20%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 69661
• LOTUS: LTS0059001
• wikiData: Q27271277