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CHEBI:74003 - 2,3,4,5-tetranor-thromboxane B1

ChEBI IDCHEBI:74003
ChEBI Name2,3,4,5-tetranor-thromboxane B1
Stars
ASCII Name2,3,4,5-tetranor-thromboxane B1
DefinitionA monocarboxylic acid that is thromboxane B1 which is lacking four methylenes in the carboxyalkyl chain. It is a urinary metabolite of thromboxane B2.
Last Modified30 August 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC16H28O6
Net Charge0
Average Mass316.394
Monoisotopic Mass316.18859
SMILESCCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1CCC(=O)O
InChIInChI=1S/C16H28O6/c1-2-3-4-5-11(17)6-8-14-12(7-9-15(19)20)13(18)10-16(21)22-14/h6,8,11-14,16-18,21H,2-5,7,9-10H2,1H3,(H,19,20)/b8-6+/t11-,12-,13-,14+,16?/m0/s1
InChIKeyAXWSHCHWXXNNKN-GIGVETMCSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
2,3,4,5-tetranor-thromboxane B1 (CHEBI:74003) has functional parent thromboxane B1 (CHEBI:73994)
2,3,4,5-tetranor-thromboxane B1 (CHEBI:74003) has role rat metabolite (CHEBI:86264)
2,3,4,5-tetranor-thromboxane B1 (CHEBI:74003) is a monocarboxylic acid (CHEBI:25384)
2,3,4,5-tetranor-thromboxane B1 (CHEBI:74003) is a secondary allylic alcohol (CHEBI:134396)
2,3,4,5-tetranor-thromboxane B1 (CHEBI:74003) is a thromboxanes B (CHEBI:26996)
IUPAC Name 
(5R)-4-(2-carboxyethyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-D-erythro-pentopyranose
Synonyms  Source
2,3,4,5-tetranor-TXB1ChEBI
2,3,4,5-tetranorthromboxane B1ChEBI
tetranor-TXB1ChEBI
Citations