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
Thromboxane B2 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 |
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 |
Splash | |
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)- |
ChEMBL | CHEMBL1552426 |
PubChem | 5283137 |
ChemSpider | 4446261 |
ChemIDPlus | 054397852 |
HMDb | HMDB03252 |
LipidsMAPs | LMFA03030002 |
ChEBI | CHEBI:28728 |
Wikipedia | Thromboxane B2 |