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CHEBI:165348 - 2,3-dinor-TXB1

ChEBI IDCHEBI:165348
ChEBI Name2,3-dinor-TXB1
Stars
ASCII Name2,3-dinor-TXB1
DefinitionA monocarboxylic acid that is thromboxane B1 which is lacking two methylenes in the carboxyalkyl chain. It is a urinary metabolite of thromboxane B2.
Last Modified30 August 2024
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O6
Net Charge0
Average Mass344.448
Monoisotopic Mass344.21989
SMILESCCCCC[C@H](O)/C=C/[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCC(=O)O
InChIInChI=1S/C18H32O6/c1-2-3-4-7-13(19)10-11-16-14(8-5-6-9-17(21)22)15(20)12-18(23)24-16/h10-11,13-16,18-20,23H,2-9,12H2,1H3,(H,21,22)/b11-10+/t13-,14-,15-,16+,18?/m0/s1
InChIKeyLGWCOUWMTAQMQT-QCBHMXSDSA-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-dinor-TXB1 (CHEBI:165348) has functional parent thromboxane B1 (CHEBI:73994)
2,3-dinor-TXB1 (CHEBI:165348) has role rat metabolite (CHEBI:86264)
2,3-dinor-TXB1 (CHEBI:165348) is a monocarboxylic acid (CHEBI:25384)
2,3-dinor-TXB1 (CHEBI:165348) is a secondary allylic alcohol (CHEBI:134396)
2,3-dinor-TXB1 (CHEBI:165348) is a thromboxanes B (CHEBI:26996)
IUPAC Name 
(5R)-4-(4-carboxybutyl)-2,4-dideoxy-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-D-erythro-pentopyranose
Synonyms  Source
2,3-dinor thromboxane B1ChEBI
9S,11,15S-trihydroxy-2,3-dinor-thrombox-13E-en-1-oic acidLIPID MAPS
Manual XrefsDatabases
LMFA03030012LIPID MAPS
Registry NumbersSources
CAS:196493-76-2ChEBI
Citations