CHEBI:138324 - 18-hydroxycarbocyclic thromboxane A2(1−)

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ChEBI Name 18-hydroxycarbocyclic thromboxane A2(1−)
ChEBI ID CHEBI:138324
ChEBI ASCII Name 18-hydroxycarbocyclic thromboxane A2(1-)
Definition A thromboxane anion that is the conjugate base of 18-hydroxycarbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C21H33O5
Net Charge -1
Average Mass 365.485
Monoisotopic Mass 365.23335
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)/p-1/b5-3-,12-11+/t15-,16?,17-,18+,19-,20+/m0/s1
InChIKey GQTKTVLOOUFFTJ-QLKVQSEBSA-M
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
ChEBI Ontology
Outgoing 18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324) has functional parent carbocyclic thromboxane A2(1−) (CHEBI:138322)
18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324) is a hydroxy fatty acid anion (CHEBI:59835)
18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324) is a thromboxane anion (CHEBI:62945)
18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324) is conjugate base of 18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046)
Incoming 18-hydroxycarbocyclic thromboxane A2 (CHEBI:139046) is conjugate acid of 18-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138324)
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-enoate
Synonyms Sources
18-hydroxy-(9α,11α)-methylene thromboxane A2(1−) SUBMITTER
18-hydroxy-(9α,11α)-methylene TXA2(1−) SUBMITTER
18-hydroxy-9α,11α-methylene thromboxane A2 UniProt
Citation Waiting for Citations Type Source
15789615 PubMed citation SUBMITTER
Last Modified
15 November 2017