Thromoboxane B1

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Systematic / IUPAC Name: 7-[(2R,3S,4S)-4,6-Dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]oxan-3-yl]heptanoic acid

ID: Reference4406

Other Names: Thromboxane B1;
(9β,13E,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid;
(9S,13E,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid;
9α,11α,15S-Trihydroxy-thrombox-13E-en-1-oic acid

Formula: C20H36O6

Class: Endogenous Metabolites

Spectral Data

Thromoboxane B1 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite; Orbitrap Fusion with FAIMS
No. of Spectral Trees 3
No. of Spectra 1302
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 4/4/2016 7:00:05 AM
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Identificators

InChI InChI=1S/C20H36O6/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/h12-13,15-18,20-22,25H,2-11,14H2,1H3,(H,23,24)/b13-12+/t15-,16-,17-,18+,20?/m0/s1
InChI Key JSDWWNLTJCCSAV-VZBVYBAISA-N
Canonical SMILES CCCCCC(C=CC1C(C(CC(O1)O)O)CCCCCCC(=O)O)O
CAS 64626320
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Other Names Thromboxane B1;
(9β,13E,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid;
(9S,13E,15S)-9,11,15-Trihydroxythrombox-13-en-1-oic acid;
9α,11α,15S-Trihydroxy-thrombox-13E-en-1-oic acid

In Other Databases

ChEBI CHEBI:73994
PubChem 71668258
ChemSpider 29341949