EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:73994 - thromboxane B1

ChEBI IDCHEBI:73994
ChEBI Namethromboxane B1
Stars
ASCII Namethromboxane B1
DefinitionA thromboxane B that is thromboxane B2 in which the double bond at position 5-6 has been reduced to a single bond.
Last Modified30 August 2024
SubmitterGareth Owen
DownloadsMolfile
FormulaC20H36O6
Net Charge0
Average Mass372.502
Monoisotopic Mass372.25119
SMILESCCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCCCC(=O)O
InChIInChI=1S/C20H36O6/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/h12-13,15-18,20-22,25H,2-11,14H2,1H3,(H,23,24)/b13-12+/t15-,16-,17-,18+,20?/m0/s1
InChIKeyJSDWWNLTJCCSAV-VZBVYBAISA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
thromboxane B1 (CHEBI:73994) is a monocarboxylic acid (CHEBI:25384)
thromboxane B1 (CHEBI:73994) is a thromboxanes B (CHEBI:26996)
Incoming Relation(s)
2,3-dinor-TXB1 (CHEBI:165348) has functional parent thromboxane B1 (CHEBI:73994)
2,3,4,5-tetranor-thromboxane B1 (CHEBI:74003) has functional parent thromboxane B1 (CHEBI:73994)
IUPAC Name 
(9β,13E,15S)-9,11,15-trihydroxythrombox-13-en-1-oic acid
Synonyms  Source
TXB1LIPID MAPS
(9S,13E,15S)-9,11,15-trihydroxythrombox-13-en-1-oic acidIUPAC
Registry NumbersSources
Reaxys:2510927Reaxys