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Prostaglandin H1

CAT: 0013-GTR19190712-01Size: 25 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190712-01Size:25 µg
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Description
Prostaglandin H1 is a cyclooxygenase-derived metabolite of DGLA that acts as a CRTh2 agonist. It serves as a biosynthetic precursor to anti-inflammatory prostaglandins and is a valuable tool for studying inflammatory pathways in both in vitro and in vivo research models.
CAS Number
52589-22-7
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Smiles
[H][C@@]12C[C@@] ([H]) (OO1) [C@H] (\C=C\[C@@H] (O) CCCCC) [C@H]2CCCCCCC (O) =O |TLB:8:7:2:6.5, THB:18:17:2:6.5|
Molecular Formula
C20H34O5
Molecular Weight
354.487
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Prostaglandin H1

Prostaglandin H1 is a member of the class of prostaglandins H that is prostaglandin H2 lacking the double bond at position 5. It has a role as a human xenobiotic metabolite. It is an organic peroxide, a prostaglandins H, a secondary alcohol, a bridged compound, an oxylipin and an olefinic compound. It is a conjugate acid of a prostaglandin H1(1-).

CAS Number52589-22-7
PubChem CID5283048
IUPAC Name7-[(1R,4S,5R,6R)-6-[(E,3S)-3-hydroxyoct-1-enyl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]heptanoic acid
Molecular FormulaC20H34O5
Molecular Weight354.5
XLogP4.5
Topological Polar Surface Area76
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity422
SMILES
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1CCCCCCC(=O)O)OO2)O
InChI
InChI=1S/C20H34O5/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/h12-13,15-19,21H,2-11,14H2,1H3,(H,22,23)/b13-12+/t15-,16+,17+,18-,19+/m0/s1
InChIKey
NTAYABHEVAQSJS-CDIPTNKSSA-N
Chemical Structure
2D Structure
2D structure of Prostaglandin H1
CAS: 52589-22-7
CID: 5283048
Formula: C20H34O5
MW: 354.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count13
Exact Mass354.24062418
Monoisotopic Mass354.24062418
Topological Polar Surface Area76 Ų
Heavy Atom Count25
Formal Charge0
Complexity422
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TBI1358-10MGProstaglandin E2, Prostaglandin E (EP) agonist
FP176166-01Prostaglandin D2
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