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Chemical structure of 1a,1b-dihomoprostaglandin E2

GC41160

1a,1b-dihomoprostaglandin E2

Also listed as 1a,1b-dihomo Prostaglandin E2

1a,1b-dihomo Prostaglandin E2 (PGE2) is a rare polyunsaturated fatty acid first identified in extracts of sheep vesicular gland microsomes, known to contain COX, incubated with adrenic acid

ChemicalCAS26198-80-1MW380.5FormulaC22H36O5
CAS number
26198-80-1
Molecular weight
380.5
Formula
C22H36O5
Solubility
DMF： 100 mg/ml,DMSO： 100 mg/ml,Ethanol： 100 mg/ml,PBS (pH 7·2)： 5 mg/ml
InChIKey
PNKJEXAWAIJTRO-ULHTUUQVSA-N
Catalogue number
GC41160
Brand
GLPBIO
Computed properties PubChem CID 6443308 · XLogP 3.9 · TPSA 94.8 Ų · H-bond donors 3
XLogP
3.9
TPSA
94.8 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
14
Heavy atoms
27

SMILES CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)C1C/C=C\CCCCCC(=O)O)O)O

Computed descriptors from PubChem (CID 6443308), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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