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CHEBI:138323 - 19-hydroxycarbocyclic thromboxane A2(1−)

ChEBI IDCHEBI:138323
ChEBI Name19-hydroxycarbocyclic thromboxane A2(1−)
Stars
ASCII Name19-hydroxycarbocyclic thromboxane A2(1-)
DefinitionA thromboxane anion that is the conjugate base of 19-hydroxycarbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified14 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC21H33O5
Net Charge-1
Average Mass365.490
Monoisotopic Mass365.23335
SMILESCC(O)CCC[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/c1-15(22)7-6-8-17(23)11-12-20-19(16-13-18(14-16)26-20)9-4-2-3-5-10-21(24)25/h2,4,11-12,15-20,22-23H,3,5-10,13-14H2,1H3,(H,24,25)/p-1/b4-2-,12-11+/t15?,16-,17-,18+,19-,20+/m0/s1
InChIKeyRWKLFZNKJPQWRW-RBHGNWNXSA-M
ChEBI Ontology
Outgoing Relation(s)
19-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138323) has functional parent carbocyclic thromboxane A2(1−) (CHEBI:138322)
19-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138323) is a (ω−1)-hydroxy fatty acid anion (CHEBI:84497)
19-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138323) is a thromboxane anion (CHEBI:62945)
19-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138323) is conjugate base of 19-hydroxycarbocyclic thromboxane A2 (CHEBI:139045)
Incoming Relation(s)
19-hydroxycarbocyclic thromboxane A2 (CHEBI:139045) is conjugate acid of 19-hydroxycarbocyclic thromboxane A2(1−) (CHEBI:138323)
IUPAC Name 
(5Z)-7-{(1R,3R,4S,5R)-3-[(1E,3S)-3,7-dihydroxyoct-1-en-1-yl]-2-oxabicyclo[3.1.1]heptan-4-yl}hept-5-enoate
Synonyms  Source
19-hydroxycarbocyclic TXA2(1−)SUBMITTER
19-hydroxy-(9α,11α)-methylene thromboxane A2(1−)SUBMITTER
UniProt Name  Source
19-hydroxy-9α,11α-methylene thromboxane A2UniProt
Citations