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Prostaglandin H2

CAT: 0931-T84582-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84582-01Size:10 mg
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CAS Number
42935-17-1
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
Prostaglandin H2 (PGH2), initially isolated from the incubation of arachidonic acid with ovine seminal vesicle microsomes, acts as a potent vasoconstrictor. It serves as the precursor for all 2-series prostaglandins (PGs) and thromboxanes (TXs) . Moreover, as a TP receptor agonist, PGH2 irreversibly aggregates human platelets at concentrations of 50-100 ng/ml.
Smiles
CCCCCC(O)C=CC1C2CC(OO2)C1CC=CCCCC(O)=O
Molecular Formula
C20H32O5
Molecular Weight
352.471
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Prostaglandin H2

Prostaglandin H2 is a prostaglandins H, a secondary alcohol, an oxylipin and an olefinic compound. It has a role as a mouse metabolite. It is a conjugate acid of a prostaglandin H2(1-).

CAS Number42935-17-1
PubChem CID445049
IUPAC Name(Z)-7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]hept-5-enoic acid
Molecular FormulaC20H32O5
Molecular Weight352.5
XLogP3.8
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count25
Formal Charge0
Complexity459
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)OO2)O
InChI
InChI=1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey
YIBNHAJFJUQSRA-YNNPMVKQSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin H2
CAS: 42935-17-1
CID: 445049
Formula: C20H32O5
MW: 352.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight352.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass352.22497412
Monoisotopic Mass352.22497412
Topological Polar Surface Area76 Ų
Heavy Atom Count25
Formal Charge0
Complexity459
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes