2-Nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid (CED0124179)

Record Information

Version

1.0

Creation Date

2026-04-06 16:53:04 UTC

Update Date

2026-08-26 00:05:50 UTC

Accession Number

CHEM127845

Identification

Common Name

2-Nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid

Class

Small Molecule

Description

2-Nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid is an organic compound with the formula C9H9NO6 and an average molecular weight of 227.17 g/mol. 2-Nitrobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been identified in or released from four recorded sources. These include household cleaning and consumer products such as tobacco pipes, as well as building and construction materials specifically related to ceilings. Additionally, it is found in sources associated with food, food processing, and cookware, including cellar tools and the treatment of hops.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₉NO₆

Average Molecular Mass

227.170 g/mol

Monoisotopic Mass

227.043 g/mol

CAS Registry Number

308067-45-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C9H9NO6/c11-7(12)6-4-1-2-5(3-4)9(6,8(13)14)10(15)16/h1-2,4-6H,3H2,(H,11,12)(H,13,14)

InChI Key

QJZYHAIUNVAGQP-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-014i-9500000000-1f1c19000d45f20740d3	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
495	Ceilings	Building & Construction	Not Available
543	Cellar Tools	Food, food processing & cookware	Not Available
553	Treatment Of Hops	Food, food processing & cookware	Not Available
566	Tobacco Pipes	Household cleaning & consumer products	Not Available
584	Buoys	Marine, shipping & aquaculture	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
598	Fertiliser Distributors	Agriculture & land management	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Metabotropic glutamate receptor 2	Q14416	Humans	Predicted (SEA)	1161.12
Click to view 3D structure	SH3 and multiple ankyrin repeat domains protein 3	Q4ACU6	Mus musculus	Predicted (SEA)	3.97031
Click to view 3D structure	Metabotropic glutamate receptor 3	Q14832	Humans	Predicted (SEA)	811.734
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	802.158
Click to view 3D structure	Metabotropic glutamate receptor 8	O00222	Humans	Predicted (SEA)	732.795
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	2074.6
Click to view 3D structure	Metabotropic glutamate receptor 3	P31422	Rattus norvegicus	Predicted (SEA)	1138.0
Click to view 3D structure	Metabotropic glutamate receptor 5	P41594	Humans	Predicted (SEA)	3963.15
Click to view 3D structure	Metabotropic glutamate receptor 1	Q13255	Humans	Predicted (SEA)	3256.9
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 7	P35236	Humans	Predicted (SEA)	4542.42
Click to view 3D structure	Kynurenine 3-monooxygenase	P38169	Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)	Predicted (SEA)	220.313
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	4707.23
Click to view 3D structure	Modulator of drug activity A	Q8X6S1	Escherichia coli O157:H7	Predicted (SEA)	61.3452
Click to view 3D structure	Metabotropic glutamate receptor 4	P31423	Rattus norvegicus	Predicted (SEA)	2235.13
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	7145.86
Click to view 3D structure	3-dehydroquinate synthase	P07639	Escherichia coli K-12	Predicted (SEA)	7.55137
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	7653.75
Click to view 3D structure	Estrogen sulfotransferase	Q95MF8	Sus scrofa	Predicted (SEA)	140.596
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	7705.59
Click to view 3D structure	Heat shock 70 kDa protein 1A	P0DMV8	Humans	Predicted (SEA)	249.818
Click to view 3D structure	Endolysin	P00720	Enterobacteria phage T4	Predicted (SEA)	123.391
Click to view 3D structure	CXXC-type zinc finger protein 5	Q7LFL8	Humans	Predicted (SEA)	457.442
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	6601.61
Click to view 3D structure	Metabotropic glutamate receptor 4	Q14833	Humans	Predicted (SEA)	5087.68
Click to view 3D structure	Long-chain fatty acid transport protein 4	Q6P1M0	Humans	Predicted (SEA)	215.487