Thromboxane B3

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Systematic / IUPAC Name: (5E,13E,17E)-9,11,15-Trihydroxythromboxa-5,13,17-trien-1-oic acid

ID: Reference9756

Other Names: (5E)-7-{4,6-Dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoic acid;
(5Z,9a,13E,15S,17Z)-9,11,15-Trihydroxy-thromboxa-5,13,17-trien-1-oate;
(5Z,9a,13E,15S,17Z)-9,11,15-Trihydroxy-thromboxa-5,13,17-trien-1-oic acid;
[2R(1E,3S,5Z),3S(Z),4S]-[Partial]-7-[tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1,5-octadienyl)-2H-pyran-3-yl]-5-heptenoate;
[2R(1E,3S,5Z),3S(Z),4S]-[Partial]-7-[tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1,5-octadienyl)-2H-pyran-3-yl]-5-heptenoic acid ; more

Formula: C20H32O6

Class: Endogenous Metabolites

Spectral Data

Thromboxane B3 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 Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 288
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 6/12/2020 7:18:12 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C20H32O6/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/h3-4,6-7,12-13,15-18,20-22,25H,2,5,8-11,14H2,1H3,(H,23,24)/b6-3+,7-4+,13-12+
InChI Key OYPPJMLKAYYWHH-OHVJZDGFSA-N
Canonical SMILES CCC=CCC(C=CC1C(C(CC(O1)O)O)CC=CCCCC(=O)O)O
CAS 71953805
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Other Names (5E)-7-{4,6-Dihydroxy-2-[(1E,5E)-3-hydroxyocta-1,5-dien-1-yl]oxan-3-yl}hept-5-enoic acid;
(5Z,9a,13E,15S,17Z)-9,11,15-Trihydroxy-thromboxa-5,13,17-trien-1-oate;
(5Z,9a,13E,15S,17Z)-9,11,15-Trihydroxy-thromboxa-5,13,17-trien-1-oic acid;
[2R(1E,3S,5Z),3S(Z),4S]-[Partial]-7-[tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1,5-octadienyl)-2H-pyran-3-yl]-5-heptenoate;
[2R(1E,3S,5Z),3S(Z),4S]-[Partial]-7-[tetrahydro-4,6-dihydroxy-2-(3-hydroxy-1,5-octadienyl)-2H-pyran-3-yl]-5-heptenoic acid;
9S,11,15S-Trihydroxy-thromboxa-5Z,13E,17Z-trien-1-oate;
Δ17-TXB2;
TXB3

In Other Databases

ChemSpider 4943166
PubChem 6438711
ChemIDPlus 071953805
HMDb HMDB05099