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CHEBI:139046 - 18-hydroxycarbocyclic thromboxane A2

ChEBI IDCHEBI:139046
ChEBI Name18-hydroxycarbocyclic thromboxane A2
Stars
ASCII Name18-hydroxycarbocyclic thromboxane A2
DefinitionA member of the class of thromboxanes that is carbocyclic thromboxane A2 carrying an additional hydroxy substituent at position 18.
Last Modified15 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC21H34O5
Net Charge0
Average Mass366.498
Monoisotopic Mass366.24062
SMILESCCC(O)CC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](C2)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C21H34O5/c1-2-16(22)9-10-17(23)11-12-20-19(15-13-18(14-15)26-20)7-5-3-4-6-8-21(24)25/h3,5,11-12,15-20,22-23H,2,4,6-10,13-14H2,1H3,(H,24,25)/b5-3-,12-11+/t15-,16?,17-,18+,19-,20+/m0/s1
InChIKeyGQTKTVLOOUFFTJ-QLKVQSEBSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) has functional parent carbocyclic thromboxane A2 (CHEBI:139043)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is a bridged compound (CHEBI:35990)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is a cyclic ether (CHEBI:37407)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is a diol (CHEBI:23824)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is a hydroxy monocarboxylic acid (CHEBI:35868)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is a secondary allylic alcohol (CHEBI:134396)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is a thromboxane (CHEBI:26995)
18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is conjugate acid of 18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324)
Incoming Relation(s)
18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324) is conjugate base of 18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046)
IUPAC Name 
(5Z)-7-{(1R,3R,4S,5R)-3-[(1E,3S)-3,6-dihydroxyoct-1-en-1-yl]-2-oxabicyclo[3.1.1]heptan-4-yl}hept-5-enoic acid
Synonyms  Source
18-hydroxy-(9α,11α)-methylene TXA2ChEBI
18-hydroxy-9α,11α-methylene thromboxane A2ChEBI
18-hydroxy-9α,11α-methylene-TXA2ChEBI
18-hydroxycarbocyclic TXA2ChEBI
18-hydroxy-(9α,11α)-methylene thromboxane A2ChEBI