CHEBI:138322 - carbocyclic thromboxane A2(1−)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name carbocyclic thromboxane A2(1−)
ChEBI ID CHEBI:138322
ChEBI ASCII Name carbocyclic thromboxane A2(1-)
Definition A thromboxane anion that is the conjugate base of carbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C21H33O4
Net Charge -1
Average Mass 349.485
Monoisotopic Mass 349.23843
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)/p-1/b7-4-,13-12+/t16-,17-,18+,19-,20+/m0/s1
InChIKey VQUUFWNZZIMDBR-SXNJQZKASA-M
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-]
ChEBI Ontology
Outgoing carbocyclic thromboxane A2(1−) (CHEBI:138322) is a hydroxy fatty acid anion (CHEBI:59835)
carbocyclic thromboxane A2(1−) (CHEBI:138322) is a monocarboxylic acid anion (CHEBI:35757)
carbocyclic thromboxane A2(1−) (CHEBI:138322) is a organic molecular entity (CHEBI:50860)
carbocyclic thromboxane A2(1−) (CHEBI:138322) is a thromboxane anion (CHEBI:62945)
carbocyclic thromboxane A2(1−) (CHEBI:138322) is conjugate base of carbocyclic thromboxane A2 (CHEBI:139043)
Incoming 18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324) has functional parent carbocyclic thromboxane A2(1−) (CHEBI:138322)
19-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138323) has functional parent carbocyclic thromboxane A2(1−) (CHEBI:138322)
carbocyclic thromboxane A2 (CHEBI:139043) is conjugate acid of carbocyclic thromboxane A2(1−) (CHEBI:138322)
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-enoate
Synonyms Sources
9α,11α-methylene thromboxane A2 UniProt
9α,11α-methylene TXA2(1−) SUBMITTER
carbocyclic TXA2(1−) SUBMITTER
Citation Waiting for Citations Type Source
15789615 PubMed citation SUBMITTER
Last Modified
12 February 2019