fingolimod phosphate (CHEBI:73420)

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CHEBI:73420 - fingolimod phosphate

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ChEBI ID	CHEBI:73420
ChEBI Name	fingolimod phosphate
Stars
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.
Last Modified	28 April 2020
Submitter	Gareth Owen
Downloads	Molfile

Formula	C19H34NO5P
Net Charge	0
Average Mass	387.457
Monoisotopic Mass	387.21746
SMILES	CCCCCCCCc1ccc(CCC(N)(CO)COP(=O)(O)O)cc1
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

Roles Classification

Chemical Role:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:	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.
Applications:	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 Relation(s)
	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

Synonyms	Source
fingolimod-P	ChEBI
FTY720 phosphate	ChEBI
FTY720-phosphate	ChEBI

Registry Numbers	Sources
Reaxys:9732428	Reaxys

Citations