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CHEBI:28728 - thromboxane B2

ChEBI IDCHEBI:28728
ChEBI Namethromboxane B2
Stars
ASCII Namethromboxane B2
DefinitionA member of the class of thromboxanes B that is (5Z,13E)-thromboxa-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9, 11 and 15.
Secondary ChEBI IDsCHEBI:9576, CHEBI:26994
Last Modified18 January 2016
DownloadsMolfile
FormulaC20H34O6
Net Charge0
Average Mass370.486
Monoisotopic Mass370.23554
SMILESCCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O6/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/h4,7,12-13,15-18,20-22,25H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+,20?/m0/s1
InChIKeyXNRNNGPBEPRNAR-JQBLCGNGSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
thromboxane B2 (CHEBI:28728) has role human metabolite (CHEBI:77746)
thromboxane B2 (CHEBI:28728) has role mouse metabolite (CHEBI:75771)
thromboxane B2 (CHEBI:28728) is a thromboxanes B (CHEBI:26996)
thromboxane B2 (CHEBI:28728) is conjugate acid of thromboxane B2(1−) (CHEBI:90696)
Incoming Relation(s)
11-dehydro-thromboxane B2 (CHEBI:28667) has functional parent thromboxane B2 (CHEBI:28728)
thromboxane B2(1−) (CHEBI:90696) is conjugate base of thromboxane B2 (CHEBI:28728)
IUPAC Name 
(5Z,13E,15S)-9α,11,15-trihydroxythromboxa-5,13-dien-1-oic acid
Synonyms  Source
Thromboxane B2KEGG COMPOUND
TXB2LIPID MAPS
TXB2ChEBI
TXB2KEGG COMPOUND
Manual XrefsDatabases
C05963KEGG COMPOUND
LMFA03030002LIPID MAPS
HMDB0003252HMDB
Thromboxane_B2Wikipedia
Registry NumbersSources
Reaxys:1399489Reaxys
CAS:54397-85-2ChemIDplus
CAS:54397-85-2KEGG COMPOUND
Citations