CHEBI:139046 - 18-hydroxycarbocyclic thromboxane A2

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ChEBI Name 18-hydroxycarbocyclic thromboxane A2
ChEBI ID CHEBI:139046
ChEBI ASCII Name 18-hydroxycarbocyclic thromboxane A2
Definition A member of the class of thromboxanes that is carbocyclic thromboxane A2 carrying an additional hydroxy substituent at position 18.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H34O5
Net Charge 0
Average Mass 366.492
Monoisotopic Mass 366.24062
InChI InChI=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
InChIKey GQTKTVLOOUFFTJ-QLKVQSEBSA-N
SMILES C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCC(CC)O)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
18-hydroxy-(9α,11α)-methylene thromboxane A2 ChEBI
18-hydroxy-(9α,11α)-methylene TXA2 ChEBI
18-hydroxy-9α,11α-methylene thromboxane A2 ChEBI
18-hydroxy-9α,11α-methylene-TXA2 ChEBI
18-hydroxycarbocyclic TXA2 ChEBI
Last Modified
15 November 2017