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PGDM

CAT: 0931-T38257-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0931-T38257-01Size:25 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
133161-96-3
Target
Prostaglandin Receptor, Others
Related Pathways
Others, Immunology/Inflammation, GPCR/G Protein
Bioactivity
Prostaglandin D2 (PGD2) plays a pharmacological role in allergic and asthmatic anaphylaxis, normal physiological sleep and lowering of body temperature, as well as inhibits platelet aggregation and relaxes vascular smooth muscle. PGDM is a major urinary metabolite of PGD2 with a unique lower sidechain that readily undergoes reversible cyclization. It is used as a biomarker to assess endogenous production of PGD2.
Smiles
C(CC(CCC(O)=O)=O)[C@@H]1[C@@H](C/C=C\CC(O)=O)[C@@H](O)C[C@@H]1O
Molecular Formula
C16H24O7
Molecular Weight
328.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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HY-117659PGDM
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HY-126986STetranor-PGDM-d6

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