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PGDM

CAT: 0804-HY-117659Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117659Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PGDM (Prostaglandin D Metabolite) is the main urinary metabolite of Prostaglandin D2 and is prone to reversible cyclization. PGDM may serve as a biomarker for the endogenous production of PGD2 or be used to evaluate the severity of acute allergic reactions[1].
CAS Number
133161-96-3
Product Name Alternative
Prostaglandin D Metabolite
UNSPSC
12352211
Hazard Statement
H225-H319-H336
Target
Prostaglandin Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/pgdm.html
Solubility
10 mM in DMSO
Smiles
OC(CCC(CC[C@@H]1[C@H]([C@H](C[C@@H]1O)O)C/C=C\CC(O)=O)=O)=O
Molecular Formula
C16H24O7
Molecular Weight
328.36
Precautions
P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P370+P378-P403+P233-P403+P235-P405-P501
References & Citations
[1]Inagaki S, et al. Urinary PGDM, a prostaglandin D2 metabolite, is a novel biomarker for objectively detecting allergic reactions of food allergy. J Allergy Clin Immunol. 2018 Nov;142 (5) :1634-1636.e10.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

6-[(1R,2R,3S,5S)-2-[(Z)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
CAS Number133161-96-3
PubChem CID71751556
IUPAC Name6-[(1R,2R,3S,5S)-2-[(Z)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
Molecular FormulaC16H24O7
Molecular Weight328.36
XLogP-0.5
Topological Polar Surface Area132
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity457
SMILES
C1[C@@H]([C@@H]([C@H]([C@H]1O)C/C=C\CC(=O)O)CCC(=O)CCC(=O)O)O
InChI
InChI=1S/C16H24O7/c17-10(6-8-16(22)23)5-7-12-11(13(18)9-14(12)19)3-1-2-4-15(20)21/h1-2,11-14,18-19H,3-9H2,(H,20,21)(H,22,23)/b2-1-/t11-,12-,13+,14+/m1/s1
InChIKey
XSGSZQDCVYMZGQ-YQQXMBKZSA-N
Chemical Structure
2D Structure
2D structure of 6-[(1R,2R,3S,5S)-2-[(Z)-4-carboxybut-2-enyl]-3,5-dihydroxycyclopentyl]-4-oxohexanoic acid
CAS: 133161-96-3
CID: 71751556
Formula: C16H24O7
MW: 328.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.36
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass328.15220310
Monoisotopic Mass328.15220310
Topological Polar Surface Area132 Ų
Heavy Atom Count23
Formal Charge0
Complexity457
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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