Thromboxane B2

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Systematic / IUPAC Name: (5Z,9β,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dien-1-oic acid

ID: Reference4408

Other Names: PG Thromboxane B2;
TXB2 ;
(5Z)-7-[(2R,3S,4S)-4,6-Dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoic acid;
(5Z,13E,15S)-9α,11,15-Trihydroxythromboxa-5,13-dien-1-oic acid;
(5Z,9α,11RS,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dien-1-oic acid ; more

Formula: C20H34O6

Class: Endogenous Metabolites

Spectral Data

Thromboxane B2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite; Orbitrap Fusion with FAIMS
No. of Spectral Trees 4
No. of Spectra 2903
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 4/4/2016 7:49:36 AM
View Mass Spec Data > >

Identificators

InChI InChI=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
InChI Key XNRNNGPBEPRNAR-JQBLCGNGSA-N
Canonical SMILES CCCCCC(C=CC1C(C(CC(O1)O)O)CC=CCCCC(=O)O)O
CAS 54397852
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Other Names PG Thromboxane B2;
TXB2 ;
(5Z)-7-[(2R,3S,4S)-4,6-Dihydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]oxan-3-yl]hept-5-enoic acid;
(5Z,13E,15S)-9α,11,15-Trihydroxythromboxa-5,13-dien-1-oic acid;
(5Z,9α,11RS,13E,15S)-9,11,15-Trihydroxythromboxa-5,13-dien-1-oic acid;
5-Heptenoic acid, 7-(tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1-octenyl)-2H-pyran-3-yl)-, (2R-(2α(1E,3S*),3β(Z),4β,6α))-;
9S,11,15S-Trihydroxy-thromboxa-5Z,13E-dien-1-oic acid;
Thromboxa-5,13-dien-1-oic acid, 9,11,15-trihydroxy-, (5Z,9α,13E,15S)-

In Other Databases

ChEMBL CHEMBL1552426
PubChem 5283137
ChemSpider 4446261
ChemIDPlus 054397852
HMDb HMDB03252
LipidsMAPs LMFA03030002
ChEBI CHEBI:28728
Wikipedia Thromboxane B2