CHEBI:50861 - treprostinil

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name treprostinil
ChEBI ID CHEBI:50861
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
InChIKey PAJMKGZZBBTTOY-ZFORQUDYSA-N
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:9606) 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)
IUPAC Name
({(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
Database Links Databases
2720 DrugCentral
D06213 KEGG DRUG
DB00374 DrugBank
View more database links
Registry Number Type Source
81846-19-7 CAS Registry Number ChemIDplus
Last Modified
22 February 2017