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CHEBI:136539 - 11-dehydro-thromboxane B2(1−)

Default Structure
ChEBI IDCHEBI:136539
ChEBI Name11-dehydro-thromboxane B2(1−)
Stars
ASCII Name11-dehydro-thromboxane B2(1-)
DefinitionA thromboxane anion that is the conjugate base of 11-dehydro-thromboxane B2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified8 June 2017
Submitternhn
DownloadsMolfile
FormulaC20H31O6
Net Charge-1
Average Mass367.462
Monoisotopic Mass367.21261
SMILESCCCCC[C@H](O)/C=C/[C@H]1OC(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/p-1/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
InChIKeyKJYIVXDPWBUJBQ-UHHGALCXSA-M
ChEBI Ontology
Outgoing Relation(s)
11-dehydro-thromboxane B2(1−) (CHEBI:136539) is a thromboxane anion (CHEBI:62945)
11-dehydro-thromboxane B2(1−) (CHEBI:136539) is conjugate base of 11-dehydro-thromboxane B2 (CHEBI:28667)
Incoming Relation(s)
11-dehydro-thromboxane B2 (CHEBI:28667) is conjugate acid of 11-dehydro-thromboxane B2(1−) (CHEBI:136539)
IUPAC Name 
(5Z,13E,15S)-9α,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oate
Synonyms  Source
11-dehydro-TXB22(1−)SUBMITTER
(5Z)-7-{(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl}hept-5-enoateIUPAC
UniProt Name  Source
11-dehydro-thromboxane B2UniProt
Citations