(R)-2-Hydroxycerotic acid

Details

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Internal ID 26f3e26b-65b9-4f2b-bf03-87961174fcbf
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
IUPAC Name (2R)-2-hydroxyhexacosanoic acid
SMILES (Canonical) CCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)O)O
SMILES (Isomeric) CCCCCCCCCCCCCCCCCCCCCCCC[C@H](C(=O)O)O
InChI InChI=1S/C26H52O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(27)26(28)29/h25,27H,2-24H2,1H3,(H,28,29)/t25-/m1/s1
InChI Key IFYDZTDBJZWEPK-RUZDIDTESA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C26H52O3
Molecular Weight 412.70 g/mol
Exact Mass 412.39164552 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 11.80

Synonyms

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(2R)-2-hydroxyhexacosanoic acid
(R)-alpha-Hydroxyhexacosanoic acid
Hexacosanoic acid, 2-hydroxy-, (R)-
2R-hydroxy-hexacosanoic acid
(R)-2-hydroxyhexacosanoic acid
SCHEMBL8686396
CHEBI:76218
DTXSID501294756
LMFA01050263
26631-99-2
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of (R)-2-Hydroxycerotic 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
CHEMBL3714079 Q9NQS5 G-protein coupled receptor 84 318 nM
Ki
via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 96.14% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.21% 96.09%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 93.60% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.51% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 89.66% 93.56%
CHEMBL221 P23219 Cyclooxygenase-1 89.36% 90.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 89.09% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 88.65% 92.08%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 87.82% 85.94%
CHEMBL1907 P15144 Aminopeptidase N 84.13% 93.31%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.67% 96.95%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 83.02% 100.00%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.72% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 81.09% 100.00%

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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There are no matching plants.

Cross-Links

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PubChem 5312816
LOTUS LTS0193222
wikiData Q27145816