Basic information
- CAS
105835-44-7- Standard SMILES
CCCCCC(=O)C=CC=CCCCCCCCCCC(=O)O- InChIKey
QZCMHXPXGACWLJ-UHFFFAOYSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Names & identifiers
- Preferred name
- 15-Oxoicosa-11,13-dienoic acid
- IUPAC
- 15-oxoicosa-11,13-dienoic acid
- English name
- 15-KEDE
- Molecular formula
- C20H34O3
- Molecular weight
- 322.48
Names & synonyms
105835-44-7DTXSID1069401015-oxoicosa-11,13-dienoic acidRefChem:236619DTXCID3064475915-KEDE;15-oxo-11Z,13E-Eicosadienoic acid15-oxo-11,13-eicosadienoic acidPD050376DB-04065915-OXOEDE15-OXO-11Z,13E-EICOSADIENOIC ACID15-KEDE
Show more names
QZCMHXPXGACWLJ-QWAPPMFBSA-N(11Z,13E)-15-oxoicosa-11,13-dienoic acid11,13-Eicosadienoic acid, 15-oxo-, (11Z,13E)-
Database identifiers
- CAS
105835-44-7- PubChem CID
- 53394271
- DTXSID
DTXSID10694010
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 16
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 356
Physicochemical properties
- Boiling point
- 477.8 · 477.8±18.0 °C(Predicted)
- Density
- 0.955 · 0.955±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 50 mg/ml; · DMF: 50 mg/ml; DMSO: 50 mg/ml; Ethanol: 50 mg/ml; PBS pH 7.2: 1 mg/ml
- pka
- 4.78 · 4.78±0.10(Predicted)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
Chemistry & industry
Applications
Description15-OxoEDE is produced by the oxidation of 15-HEDE. 15-OxoEDE inhibits 5-LO from RBL-1 cells with an IC50 of 55 μM, which is about 2-fold lower than 15(S)-HEDE. A related oxo-eicosanoid, 5-oxoETE, is biosynthesized from 5(S)-HETE by a specific dehydrogenase and has potent inflammatory activity.
Uses15-OxoEDE is an ester product.
Suppliers11 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]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海甄准生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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