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CHEBI:167668 - (2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol

ChEBI IDCHEBI:167668
ChEBI Name(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
Stars
ASCII Name(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
DefinitionA 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol that has R-configuration. It is a sphingosine kinase-2 inhibitor.
Last Modified12 April 2021
SubmitterR. Stephan
DownloadsMolfile
FormulaC20H35NO2
Net Charge0
Average Mass321.505
Monoisotopic Mass321.26678
SMILESCCCCCCCCc1ccc(CC[C@@](N)(CO)COC)cc1
InChIInChI=1S/C20H35NO2/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)14-15-20(21,16-22)17-23-2/h10-13,22H,3-9,14-17,21H2,1-2H3/t20-/m1/s1
InChIKeyYEYZALQTJCVXIJ-HXUWFJFHSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.1.91 (sphingosine kinase) inhibitor  An EC 2.7.1.* (phosphotransferases with an alcohol group as acceptor) inhibitor that interferes with the action of sphinganine kinase (EC 2.7.1.91).
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167668) has role EC 2.7.1.91 (sphingosine kinase) inhibitor (CHEBI:78760)
(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167668) is a 2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol (CHEBI:167708)
IUPAC Name 
(2R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
Synonyms  Source
(R)-FTY720 methyl etherSUBMITTER
(R)-FTY720-OMeChEBI
(R)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-olChEBI
Manual XrefsDatabases
28667627ChemSpider
Registry NumbersSources
CAS:1382486-90-9ChEBI
Citations