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Chemical structure of 15-deoxy-δ12,14-Prostaglandin J2 Glutathione

GC41928

15-deoxy-δ12,14-Prostaglandin J2 Glutathione

Also known as (Z)-7-[(1R,2E)-5-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-2-[(E)-oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid

15-deoxy-δ12,14-Prostaglandin J2 Glutathione (15-deoxy-δ12,14-PGJ2 Glutathione) is a non-enzymatic adduct formed from 15-deoxy-δ12,14-PGJ2 and glutathione

ChemicalCAS537695-15-1MW623.8FormulaC30H45N3O9S
CAS number
537695-15-1
Molecular weight
623.8
Formula
C30H45N3O9S
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,PBS (pH 7·2)： 0·2 mg/ml
InChIKey
PJVSKAKTGJJITI-YPYHUWNQSA-N
Catalogue number
GC41928
Brand
GLPBIO
Computed properties PubChem CID 156593934 · XLogP 0.1 · TPSA 238 Ų · H-bond donors 6
XLogP
0.1
TPSA
238 Ų
H-bond donors
6
H-bond acceptors
11
Rotatable bonds
22
Heavy atoms
43

SMILES CCCCC/C=C/C=C/1\[C@H](C(CC1=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)C/C=C\CCCC(=O)O

Computed descriptors from PubChem (CID 156593934), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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