CHEBI:139043 - carbocyclic thromboxane A2

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ChEBI Name carbocyclic thromboxane A2
ChEBI ID CHEBI:139043
ChEBI ASCII Name carbocyclic thromboxane A2
Definition A member of the class of thromboxanes that is thromboxane A2 in which the bridging oxygen has been replaced by a methylene group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H34O4
Net Charge 0
Average Mass 350.493
Monoisotopic Mass 350.24571
InChI InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-20-19(16-14-18(15-16)25-20)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17-,18+,19-,20+/m0/s1
InChIKey VQUUFWNZZIMDBR-SXNJQZKASA-N
SMILES C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)O
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): thromboxane A2 agonist
An agonist that binds to and activates thromboxane A2 receptors.
Application(s): vasoconstrictor agent
Drug used to cause constriction of the blood vessels.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing carbocyclic thromboxane A2 (CHEBI:139043) has functional parent thromboxane A2 (CHEBI:15627)
carbocyclic thromboxane A2 (CHEBI:139043) has role thromboxane A2 agonist (CHEBI:139044)
carbocyclic thromboxane A2 (CHEBI:139043) has role vasoconstrictor agent (CHEBI:50514)
carbocyclic thromboxane A2 (CHEBI:139043) is a bridged compound (CHEBI:35990)
carbocyclic thromboxane A2 (CHEBI:139043) is a cyclic ether (CHEBI:37407)
carbocyclic thromboxane A2 (CHEBI:139043) is a hydroxy monocarboxylic acid (CHEBI:35868)
carbocyclic thromboxane A2 (CHEBI:139043) is a secondary allylic alcohol (CHEBI:134396)
carbocyclic thromboxane A2 (CHEBI:139043) is a thromboxane (CHEBI:26995)
carbocyclic thromboxane A2 (CHEBI:139043) is conjugate acid of carbocyclic thromboxane A2(1−) (CHEBI:138322)
Incoming 18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) has functional parent carbocyclic thromboxane A2 (CHEBI:139043)
19-hydroxycarbocyclic thromboxane A2 (CHEBI:139045) has functional parent carbocyclic thromboxane A2 (CHEBI:139043)
carbocyclic thromboxane A2(1−) (CHEBI:138322) is conjugate base of carbocyclic thromboxane A2 (CHEBI:139043)
IUPAC Name
(5Z)-7-{(1R,3R,4S,5R)-3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[3.1.1]heptan-4-yl}hept-5-enoic acid
Synonyms Sources
9α,11α-methylene thromboxane A2 ChEBI
9α,11α-methylene-TXA2 ChEBI
carbocyclic TXA2 ChEBI
Citations Waiting for Citations Types Sources
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Last Modified
15 November 2017