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CHEBI:28667 - 11-dehydro-thromboxane B2

ChEBI IDCHEBI:28667
ChEBI Name11-dehydro-thromboxane B2
Stars
ASCII Name11-dehydro-thromboxane B2
DefinitionA thromboxane obtained by formal oxidation of the hemiacetal hydroxy function of thromboxane B2.
Secondary ChEBI IDsCHEBI:710, CHEBI:19122
Last Modified8 June 2017
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
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)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
InChIKeyKJYIVXDPWBUJBQ-UHHGALCXSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
11-dehydro-thromboxane B2 (CHEBI:28667) has functional parent thromboxane B2 (CHEBI:28728)
11-dehydro-thromboxane B2 (CHEBI:28667) has role human metabolite (CHEBI:77746)
11-dehydro-thromboxane B2 (CHEBI:28667) is a thromboxane (CHEBI:26995)
11-dehydro-thromboxane B2 (CHEBI:28667) is conjugate acid of 11-dehydro-thromboxane B2(1−) (CHEBI:136539)
Incoming Relation(s)
11-dehydro-thromboxane B2(1−) (CHEBI:136539) is conjugate base of 11-dehydro-thromboxane B2 (CHEBI:28667)
IUPAC Name 
(5Z,13E,15S)-9α,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oic acid
Synonyms  Source
11-Dehydro-thromboxane B2KEGG COMPOUND
11-Dehydro-txb2ChemIDplus
11-Dehydrothromboxane B2ChemIDplus
11-Keto-thromboxane B2ChemIDplus
11-dehydro-TXB2LIPID MAPS
11-dehydro-TXB2ChEBI
Manual XrefsDatabases
C05964KEGG COMPOUND
LMFA03030004LIPID MAPS
HMDB0004242HMDB
Registry NumbersSources
Reaxys:5826438Reaxys
CAS:67910-12-7ChemIDplus
CAS:67910-12-7KEGG COMPOUND