Basic information
- CAS
774603-04-2- Standard SMILES
CCCCC/C=C\C/C(=C\CCCCCCCC(=O)O)[N+](=O)[O-]- InChIKey
LELVHAQTWXTCLY-XYWKCAQWSA-N- Molecular formula
- C18H31NO4
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.22530847
Names & identifiers
- Preferred name
- 10-Nitrolinoleic acid
- IUPAC
- (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid
- English name
- (9E,12Z)-10-Nitrooctadecadienoic acid
- Molecular formula
- C18H31NO4
- Molecular weight
- 325.44
Names & synonyms
10-Nitrolinoleic acid10-nitro,9Z,12Z-octadecadienoic acidRefChem:1057238774603-04-2(9E,12Z)-10-Nitrooctadeca-9,12-dienoic acidLNO210-Nitro-9Z,12Z-octadecadienoic acid9,12-Octadecadienoicacid, 10-nitro-, (9E,12Z)-(9E,12Z)-10-Nitro-9,12-octadecadienoic acidC10-LNO2orb1692588SCHEMBL2370110
Show more names
10-Nitrolinoleate(9E,12Z)-10-Nitrooctadecadienoic acid10-Nitro-9(E)-12(Z)-Octadecadienoic acid10 Nitrolinoleic acid,10Nitrolinoleic acid9,12-Octadecadienoic acid, 10-nitro-, (9E,12Z)-
CHEMBL1234053CHEBI:3412510-nitro-9,12-octadecadienoate12-nitro-9,12-octadecadienoateLELVHAQTWXTCLY-XYWKCAQWSA-NDTXSID201261386LMFA0112000112-nitro-9,12-octadecadienoic acid
Database identifiers
- CAS
774603-04-2- PubChem CID
- 5282259
- DTXSID
DTXSID201261386- ChEMBL
CHEMBL1234053- ChEBI
CHEBI:34125- Nikkaji
- J2.344.973K
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 452.2 · 452.2±33.0 °C(Predicted)
- Density
- 1.016 · 1.016±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 30 mg/ml; · DMF: 30 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml; Ethanol:PBS(pH 7.2) (1:1): 0.5 mg/ml
- form
- Liquid
- pka
- 4.77 · 4.77±0.10(Predicted)
- color
- Colorless to light yellow
- 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
Pharmacology
Cellular LocationsExtracellular；Membrane
Applications
Description10-Nitrolinoleate is a nitrated fatty acid and a peroxisome proliferator-activated receptor γ (PPARγ) agonist. It is formed from linoleic acid (Item Nos. 90150 | 90150.1 | 21909) upon exposure to acidified nitrite.
Uses10-Nitrolinoleic acid is a potent peroxisome proliferator-activated receptor γ (PPARγ) agonist. 10-Nitrolinoleic acid competes with [3H]Rosiglitazone for binding to PPAR-γ, with an IC50 of 0.22 μM[1].
Suppliers13 total
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
宜昌众意泰贸易有限公司0717-6449896 13886658719 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
陕西西化化学工业有限公司18161915376 · [email protected]
Additional notes
DefinitionChEBI: 10-Nitro-9Z,12Z-octadecadienoic acid is a nitro fatty acid and an octadecadienoic acid.
Related reactions
2 records
Compound notes
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