Terminology Service for NFDI4Health
fingolimod phosphate
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http://purl.obolibrary.org/obo/CHEBI_73420
A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted to its dihydrogen phosphate derivative. It is the active metabolite of fingolimod.
Term info
Label
fingolimod phosphate
Synonyms
- 2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate
Subsets
3_STAR
charge
0
formula
C19H34NO5P
has obo namespace
chebi_ontology
has related synonym
FTY720 phosphate, fingolimod-P, FTY720-phosphate
id
CHEBI:73420
inchi
InChI=1S/C19H34NO5P/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-25-26(22,23)24/h9-12,21H,2-8,13-16,20H2,1H3,(H2,22,23,24)
inchikey
LRFKWQGGENFBFO-UHFFFAOYSA-N
mass
387.45070
monoisotopicmass
387.21746
smiles
CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1