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Tetranor-PGDM

CAT: 0013-GTR19222535-02Size: 50 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222535-02Size:50 µg
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Description
Prostaglandin D2 (PGD2) is a bioactive lipid mediator synthesized by hematopoietic-type PGD-synthase in mast cells during allergic responses and by lipocalin-PGD-synthase in the brain to regulate sleep and thermoregulation. Its major urinary metabolite, tetranor-PGDM, serves as a biomarker for in vivo studies of inflammation, allergy, and CNS function, with applications in both in vitro and animal model research.
CAS Number
70803-91-7
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
O[C@H]1CC (=O) [C@H] (CCC (=O) CCCCC (O) =O) [C@H]1CCC (O) =O
Molecular Formula
C16H24O7
Molecular Weight
328.361
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tetranor-PGDM

Tetranor-PGDM is an oxo carboxylic acid.

CAS Number70803-91-7
PubChem CID44600448
IUPAC Name8-[(1R,2R,3S)-2-(2-carboxyethyl)-3-hydroxy-5-oxocyclopentyl]-6-oxooctanoic acid
Molecular FormulaC16H24O7
Molecular Weight328.36
XLogP-0.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count23
Formal Charge0
Complexity457
SMILES
C1[C@@H]([C@@H]([C@H](C1=O)CCC(=O)CCCCC(=O)O)CCC(=O)O)O
InChI
InChI=1S/C16H24O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-12,14,19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,14+/m1/s1
InChIKey
VNJBSPJILLFAIC-BZPMIXESSA-N
Chemical Structure
2D Structure
2D structure of tetranor-PGDM
CAS: 70803-91-7
CID: 44600448
Formula: C16H24O7
MW: 328.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.36
XLogP3-0.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass328.15220310
Monoisotopic Mass328.15220310
Topological Polar Surface Area129 Ų
Heavy Atom Count23
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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