fingolimod phosphate (CHEBI:73420)

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ChEBI Name	fingolimod phosphate

ChEBI ID	CHEBI:73420

Definition	A primary amino compound that is fingolimod in which one on the hydroxy groups has been converted into its dihydrogen phosphate derivative. It is the active metabolite of fingolimod.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C19H34NO5P

Net Charge

Average Mass

387.45070

Monoisotopic Mass

387.21746

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

SMILES

CCCCCCCCc1ccc(CCC(N)(CO)COP(O)(O)=O)cc1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response. sphingosine-1-phosphate receptor agonist An agonist that binds to and activates sphingosine 1-phosphate receptors.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. immunosuppressive agent An agent that suppresses immune function by one of several mechanisms of action. Classical cytotoxic immunosuppressants act by inhibiting DNA synthesis. Others may act through activation of T-cells or by inhibiting the activation of helper cells. In addition, an immunosuppressive agent is a role played by a compound which is exhibited by a capability to diminish the extent and/or voracity of an immune response.

ChEBI Ontology
Outgoing	fingolimod phosphate (CHEBI:73420) has functional parent fingolimod (CHEBI:63115) fingolimod phosphate (CHEBI:73420) has role antineoplastic agent (CHEBI:35610) fingolimod phosphate (CHEBI:73420) has role immunosuppressive agent (CHEBI:35705) fingolimod phosphate (CHEBI:73420) has role sphingosine-1-phosphate receptor agonist (CHEBI:63114) fingolimod phosphate (CHEBI:73420) is a monoalkyl phosphate (CHEBI:25381) fingolimod phosphate (CHEBI:73420) is a primary alcohol (CHEBI:15734) fingolimod phosphate (CHEBI:73420) is a primary amino compound (CHEBI:50994)

IUPAC Name

2-amino-2-(hydroxymethyl)-4-(4-octylphenyl)butyl dihydrogen phosphate

Registry Number	Type	Source
9732428	Reaxys Registry Number	Reaxys

Last Modified

28 April 2020