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Chemical structure of 13,14-dihydro-15-keto-tetranor Prostaglandin D2

GC40625

13,14-dihydro-15-keto-tetranor Prostaglandin D2

Also known as 3-[(1R,2R,5S)-5-hydroxy-3-oxo-2-(3-oxooctyl)cyclopentyl]propanoic acid

A common metabolic pathway for several prostaglandins (PGs), including PGD2, involves the reduction of the double bond between C-13 and C-14 and oxidation of the hydroxyl group at C-15, producing 13,14-dihydro-15-keto PGs

ChemicalCAS1204116-69-7MW298.4FormulaC16H26O5
CAS number
1204116-69-7
Molecular weight
298.4
Formula
C16H26O5
Solubility
DMF: 50 mg/ml,DMSO: 50 mg/ml,Ethanol: 50 mg/ml,PBS (pH 7·2): 1 mg/ml
InChIKey
CIXGXJHOQWHINC-NFAWXSAZSA-N
Catalogue number
GC40625
Brand
GLPBIO
Computed properties PubChem CID 44600450 · XLogP 1.1 · TPSA 91.7 Ų · H-bond donors 2
XLogP
1.1
TPSA
91.7 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
10
Heavy atoms
21

SMILES CCCCCC(=O)CC[C@@H]1[C@H]([C@H](CC1=O)O)CCC(=O)O

Computed descriptors from PubChem (CID 44600450), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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