Cer 19:0;3O/19:0;(2OH)

Details

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Internal ID d72ef614-e30a-4c89-89f7-73ebaa30ff64
Taxonomy Lipids and lipid-like molecules > Sphingolipids > Ceramides > Phytoceramides
IUPAC Name 2-hydroxy-N-(1,3,4-trihydroxynonadecan-2-yl)nonadecanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C38H77NO5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-36(42)38(44)39-34(33-40)37(43)35(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h34-37,40-43H,3-33H2,1-2H3,(H,39,44)
InChI Key CGVOTCZGBHPNOI-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C38H77NO5
Molecular Weight 628.00 g/mol
Exact Mass 627.58017456 g/mol
Topological Polar Surface Area (TPSA) 110.00 Ų
XlogP 13.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cer 19:0;3O/19:0;(2OH)

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
CHEMBL4040 P28482 MAP kinase ERK2 99.48% 83.82%
CHEMBL2581 P07339 Cathepsin D 98.33% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 97.92% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 96.81% 92.86%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.87% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.69% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 92.41% 93.56%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 89.15% 91.81%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 88.52% 100.00%
CHEMBL4227 P25090 Lipoxin A4 receptor 86.86% 100.00%
CHEMBL1907602 P06493 Cyclin-dependent kinase 1/cyclin B1 86.40% 91.24%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.64% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 85.53% 89.63%
CHEMBL299 P17252 Protein kinase C alpha 85.20% 98.03%
CHEMBL2885 P07451 Carbonic anhydrase III 84.22% 87.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 83.70% 96.47%
CHEMBL2094135 Q96BI3 Gamma-secretase 83.32% 98.05%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 83.28% 96.95%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.62% 100.00%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.30% 94.33%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.87% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 80.83% 94.73%

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 72783786
LOTUS LTS0069548
wikiData Q104958287