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CHEBI:139043 - carbocyclic thromboxane A2

ChEBI IDCHEBI:139043
ChEBI Namecarbocyclic thromboxane A2
Stars
ASCII Namecarbocyclic thromboxane A2
DefinitionA member of the class of thromboxanes that is thromboxane A2 in which the bridging oxygen has been replaced by a methylene group.
Last Modified15 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H34O4
Net Charge0
Average Mass350.499
Monoisotopic Mass350.24571
SMILESCCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=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
InChIKeyVQUUFWNZZIMDBR-SXNJQZKASA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
thromboxane A2 agonist  An agonist that binds to and activates thromboxane A2 receptors.
Application:
vasoconstrictor agent  Drug used to cause constriction of the blood vessels.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
9α,11α-methylene-TXA2ChEBI
carbocyclic TXA2ChEBI
9α,11α-methylene thromboxane A2ChEBI
Citations