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Chemical structure of 17-trans Prostaglandin E3

GC18739

17-trans Prostaglandin E3

Also known as (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(1E,3S,5E)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopentyl]hept-5-enoic acid

17-trans PGE3 is an isomer of PGE3 which could theoretically result from the COX metabolism of dietary trans-fatty acids

ChemicalCAS210979-33-2MW350.5FormulaC20H30O5
CAS number
210979-33-2
Molecular weight
350.5
Formula
C20H30O5
Solubility
DMF: >100 mg/ml (from PGE2),DMSO: >100 mg/ml (from PGE2),Ethanol: >100 mg/ml (from PGE2),PBS pH 7·2: >5 mg/ml (from PGE2)
InChIKey
CBOMORHDRONZRN-YYFRSVFISA-N
Catalogue number
GC18739
Brand
GLPBIO
Computed properties PubChem CID 40561659 · XLogP 2.3 · TPSA 94.8 Ų · H-bond donors 3
XLogP
2.3
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
11
Heavy atoms
25

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

Computed descriptors from PubChem (CID 40561659), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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