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

ChEBI IDCHEBI:138324
ChEBI Name18-hydroxycarbocyclic thromboxane A2(1−)
Stars
ASCII Name18-hydroxycarbocyclic thromboxane A2(1-)
DefinitionA 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.
Last Modified15 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC21H33O5
Net Charge-1
Average Mass365.490
Monoisotopic Mass365.23335
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)/p-1/b5-3-,12-11+/t15-,16?,17-,18+,19-,20+/m0/s1
InChIKeyGQTKTVLOOUFFTJ-QLKVQSEBSA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
18-hydroxy-(9α,11α)-methylene TXA2(1−)SUBMITTER
18-hydroxy-(9α,11α)-methylene thromboxane A2(1−)SUBMITTER
UniProt Name  Source
18-hydroxy-9α,11α-methylene thromboxane A2UniProt
Citations