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CHEBI:138322 - carbocyclic thromboxane A2(1−)

ChEBI IDCHEBI:138322
ChEBI Namecarbocyclic thromboxane A2(1−)
Stars
ASCII Namecarbocyclic thromboxane A2(1-)
DefinitionA thromboxane anion that is the conjugate base of carbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified12 February 2019
Submitterlaimo
DownloadsMolfile
FormulaC21H33O4
Net Charge-1
Average Mass349.491
Monoisotopic Mass349.23843
SMILESCCCCC[C@H](O)/C=C/[C@H]1O[C@H]2C[C@H](C2)[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=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
InChIKeyVQUUFWNZZIMDBR-SXNJQZKASA-M
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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  Source
carbocyclic TXA2(1−)SUBMITTER
9α,11α-methylene TXA2(1−)SUBMITTER
UniProt Name  Source
9α,11α-methylene thromboxane A2UniProt
Citations