11-Dehydro thromboxane B2

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Systematic / IUPAC Name: (5Z)-7-{(2R,3S,4S)-4-Hydroxy-2-[(1E,3S)-3-hydroxy-1-octen-1-yl]-6-oxotetrahydro-2H-pyran-3-yl}-5-heptenoic acid

ID: Reference9859

Other Names: 11-Dehydro-TXB2;
11-Keto-thromboxane B2;
(5Z,13E,15S)-9α,15-Dihydroxy-11-oxothromboxa-5,13-dien-1-oic acid;
(Z)-7-[(2R,3S,4S)-4-Hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid;
9S,15S-Dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid ; more

Formula: C20H32O6

Class: Endogenous Metabolites

Spectral Data

11-Dehydro thromboxane B2 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 Fusion with FAIMS
No. of Spectral Trees 2
No. of Spectra 5051
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 8/6/2020 11:20:55 AM
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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/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1
InChI Key KJYIVXDPWBUJBQ-UHHGALCXSA-N
Canonical SMILES CCCCCC(C=CC1C(C(CC(=O)O1)O)CC=CCCCC(=O)O)O
CAS 67910127
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Other Names 11-Dehydro-TXB2;
11-Keto-thromboxane B2;
(5Z,13E,15S)-9α,15-Dihydroxy-11-oxothromboxa-5,13-dien-1-oic acid;
(Z)-7-[(2R,3S,4S)-4-Hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-6-oxooxan-3-yl]hept-5-enoic acid;
9S,15S-Dihydroxy-11-oxo-thromboxa-5Z,13E-dien-1-oic acid;
9α,15S-dihydroxy-11-oxothromba-5Z,13E-dien-1-oic acid;
11-keto TXB2

In Other Databases

ChEMBL CHEMBL1405272
KEGG C05964
Wikipedia 11-Dehydrothromboxane_B2
ChemSpider 4444414
PubChem 5280891
ChEBI CHEBI:28667