CHEBI:165348 - 2,3-dinor-TXB1

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2,3-dinor-TXB1
ChEBI ID CHEBI:165348
ChEBI ASCII Name 2,3-dinor-TXB1
Definition A monocarboxylic acid that is thromboxane B1 which is lacking two methylenes in the carboxyalkyl chain. It is a urinary metabolite of thromboxane B2.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O6
Net Charge 0
Average Mass 344.448
Monoisotopic Mass 344.21989
InChI InChI=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
InChIKey LGWCOUWMTAQMQT-QCBHMXSDSA-N
SMILES CCCCC[C@H](O)\C=C\[C@H]1OC(O)C[C@H](O)[C@@H]1CCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
2,3-dinor thromboxane B1 ChEBI
9S,11,15S-trihydroxy-2,3-dinor-thrombox-13E-en-1-oic acid LIPID MAPS
Manual Xref Database
LMFA03030012 LIPID MAPS
View more database links
Registry Number Type Source
196493-76-2 CAS Registry Number ChEBI
Citations Waiting for Citations Types Sources
2597664 PubMed citation Europe PMC
33609949 PubMed citation Europe PMC
3520685 PubMed citation Europe PMC
7938613 PubMed citation Europe PMC
9283716 PubMed citation Europe PMC
Last Modified
30 August 2024