Basic information
- CAS
42935-17-1- Standard SMILES
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2C[C@H]1OO2- InChIKey
YIBNHAJFJUQSRA-YNNPMVKQSA-N- Molecular formula
- C20H32O5
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.22497412
Overview
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-).
Names & identifiers
- Preferred name
- Prostaglandin H2
- IUPAC
- (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
- English name
- PROSTAGLANDIN H2
- Molecular formula
- C20H32O5
- Molecular weight
- 352.47
Names & synonyms
prostaglandin h2PGH242935-17-1J670X3LRU2DTXSID809039499S,11R-epidioxy-15S-hydroxy-5Z,13E-prostadienoic acidCHEBI:15554Prosta-5,13-dien-1-oic acid, 9,11-epidioxy-15-hydroxy-, (5Z,9alpha,11alpha,13E,15S)-(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(5Z,13E,15S)-9alpha,11alpha-epidioxy-15-hydroxyprosta-5,13-dienoate(5Z,13E)-(15S)-9alpha,11alpha-Epidioxy-15-hydroxyprosta-5,13-dienoate(5Z,9alpha,11alpha,13E,15S)-9,11-epidioxy-15-hydroxy-prosta-5,13-dienoate
Show more names
PGR2GPR142GPRg1bENDOPEROXIDE H2PROSTAGLANDIN R2Prostaglandin?H2?(PGH2)[1-14C]Prostaglandin?H2PGH2 (Prostaglandin H2)
PGH(2)(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(Z)-7-((1S,2R,3R,4R)-3-((E,3S)-3-hydroxyoct-1-enyl)-5,6-dioxabicyclo(2.2.1)heptan-2-yl)hept-5-enoic acid(Z)-7-[(1S,2R,3R,4R)-3-[(E,3S)-3-hydroxyoct-1-enyl]-5,6-dioxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acidRefChem:930084DTXCID301331897(Z)-7-((1S,4R,5R,6R)-5-((E,3S)-3-hydroxyoct-1-enyl)-2,3-dioxabicyclo(2.2.1)heptan-6-yl)hept-5-enoic acid9,11-Epoxymethano-pgh2
Database identifiers
- CAS
42935-17-1- PubChem CID
- 445049
- DTXSID
DTXSID80903949- ChEMBL
CHEMBL2074582- ChEBI
CHEBI:15554- UNII
- J670X3LRU2
- Nikkaji
- J16.429A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 76 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 459
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Physical DescriptionSolid
Collision Cross Section
188.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
202.63 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]
190.2 Ų [M-H]-
Physicochemical properties
- Boiling point
- 490.1 · 490.1±40.0 °C(Predicted)
- Density
- 1.129 · 1.129±0.06 g/cm3(Predicted)
- Flash point
- -17 °C · -17 °C
- storage temp.
- 70 °C · −70°C
- solubility
- 100 mg/ml; · Ethanol: >100 mg/ml; PBS pH 7.2: >2 mg/ml
- form
- acetone solution
- pka
- 4.76 · 4.76±0.10(Predicted)
- color
- Colorless to light yellow
- FDA UNII
- 670 X3LRU2 · J670X3LRU2
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H302+H312+H332-H319
- Precautionary statements
- 210 · P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
- Hazard Codes
- F,Xi
- Risk Statements
- 11 · 11-36-66-67
- Safety Statements
- 9 · 9-16-26
- RIDADR
- 1090 · UN 1090 3/PG 2
- WGK Germany
- 1 · 1
Safety & regulation
Safety data
- wgk
- 1
- ridadr
- UN 1090 3/PG 2
- risk_code
- 11-36-66-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 9-16-26
- Hazard statements
- H225-H302+H312+H332-H319
- Precautionary statements
- P210-P280-P301+P312-P303+P361+P353-P304+P340+P312-P305+P351+P338
Chemistry & industry
Pharmacology
Tissue LocationsPlatelet
Cellular LocationsCytoplasm
Metabolite PathwaysAcetaminophen Action Pathway
Applications
DescriptionProstaglandin H2 (PGH2) was first isolated from incubations of arachidonic acid with ovine seminal vesicle microsomes, and was described as a potent vasoconstrictor. PGH2 is the precursor for all 2-series PGs and thromboxanes (TXs), and is a TP receptor agonist which irreversibly aggregates human platelets at 50-100 ng/ml.
UsesPGH2 (Prostaglandin H2) is a thromboxane A2 precursor and a platelet aggregator of vascular smooth muscle contraction.
Suppliers12 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
ChemeGen 中国18818260767 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海鼓臣生物技术有限公司021-34675735 19147740836 · [email protected]
武汉艾美捷科技有限公司4006800868;027-59626688 18771149750
Additional notes
DefinitionChEBI: Prostaglandin H2 is an oxylipin, an olefinic compound, a secondary alcohol and a prostaglandins H. It has a role as a mouse metabolite. It is a conjugate acid of a prostaglandin H2(1-).
Related reactions
7 records
Compound notes
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