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Chemical structure of 11-Dehydrothromboxane B3

GC41877

11-Dehydrothromboxane B3

Also listed as 11-dehydro Thromboxane B3

11-dehydro TXB3 is a urinary metabolite of TXA3 in humans with enhanced dietary intake of EPA

ChemicalCAS129228-55-3MW366.5FormulaC20H30O6
CAS number
129228-55-3
Molecular weight
366.5
Formula
C20H30O6
Solubility
DMF： >50 mg/ml (from TXB2),DMSO： >25 mg/ml (from TXB2),Ethanol： >100 mg/ml (from TXB2),PBS pH 7·2： >100 μ g/ml (from TXB2)
InChIKey
OAHMLWQISGEXBB-RLPQVOTCSA-N
Catalogue number
GC41877
Brand
GLPBIO
Computed properties PubChem CID 6438607 · XLogP 2 · TPSA 104 Ų · H-bond donors 3
XLogP
2
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
26

SMILES CC/C=C\CC(/C=C/[C@@H]1[C@H]([C@H](CC(=O)O1)O)C/C=C\CCCC(=O)O)O

Computed descriptors from PubChem (CID 6438607), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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