CHEBI:50861 - treprostinil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name treprostinil
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H34O5
Net Charge 0
Average Mass 390.51306
Monoisotopic Mass 390.241
InChI InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
SMILES [H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])Cc1cccc(OCC(O)=O)c1C2
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): vitamin K antagonist
A class of anticoagulants which act by inhibiting the action of vitamin K.
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
Application(s): platelet aggregation inhibitor
A drug or agent which antagonizes or impairs any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
vasodilator agent
A drug used to cause dilation of the blood vessels.
antihypertensive agent
Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
cardiovascular drug
A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing treprostinil (CHEBI:50861) has role antihypertensive agent (CHEBI:35674)
treprostinil (CHEBI:50861) has role cardiovascular drug (CHEBI:35554)
treprostinil (CHEBI:50861) has role human blood serum metabolite (CHEBI:85234)
treprostinil (CHEBI:50861) has role platelet aggregation inhibitor (CHEBI:50427)
treprostinil (CHEBI:50861) has role vasodilator agent (CHEBI:35620)
treprostinil (CHEBI:50861) has role vitamin K antagonist (CHEBI:55347)
treprostinil (CHEBI:50861) is a carbotricyclic compound (CHEBI:38032)
treprostinil (CHEBI:50861) is a carboxylic acid (CHEBI:33575)
Incoming treprostinil sodium (CHEBI:50863) has part treprostinil (CHEBI:50861)
({(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-yl}oxy)acetic acid
INNs Sources
tréprostinil ChEBI
treprostinil ChEBI
treprostinilo ChEBI
treprostinilum ChEBI
Manual Xrefs Databases
2720 DrugCentral
DB00374 DrugBank
View more database links
Registry Number Type Source
81846-19-7 CAS Registry Number ChemIDplus
Last Modified
22 February 2017