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CHEBI:50861 - treprostinil
| Formula | C23H34O5 |
| Net Charge | 0 |
| Average Mass | 390.520 |
| Monoisotopic Mass | 390.24062 |
| SMILES | [H][C@@]12Cc3c(cccc3OCC(=O)O)C[C@]1([H])[C@@H](CC[C@@H](O)CCCCC)[C@H](O)C2 |
| 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 |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | blood serum (BTO:0000133) | MetaboLights (MTBLS90) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Roles: | 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. |
| Applications: | cardiovascular drug A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume. 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 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 Relation(s) |
| 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 | Source |
|---|---|
| treprostinil | ChEBI |
| tréprostinil | ChEBI |
| treprostinilo | ChEBI |
| treprostinilum | ChEBI |
| Registry Numbers | Sources |
|---|---|
| CAS:81846-19-7 | ChemIDplus |