Cyclododecaneformylcarboxylic acid (CED0000203)

Record Information
Version1.0
Creation Date2026-04-04 20:22:00 UTC
Update Date2026-04-04 20:22:00 UTC
SynCED IDCED0000203
Secondary Accession Numbers
  • CHEM081123
Identification
Common NameCyclododecaneformylcarboxylic acid
ClassSmall Molecule
Description
Cyclododecaneformylcarboxylic acid belongs to the organic oxides, a class of organic oxygen compounds within the organic compounds. This compound has the formula C13H24O and an average molecular weight of 196.33 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H24O
Average Molecular Mass196.334 g/mol
Monoisotopic Mass196.183 g/mol
CAS Registry Number5037-22-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESO=CC1CCCCCCCCCCC1
InChI IdentifierInChI=1/C13H24O/c14-12-13-10-8-6-4-2-1-3-5-7-9-11-13/h12-13H,1-11H2
InChI KeyKIYUNVUWDQKWPJ-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
5381.0 Log mg/kg [3000:9600]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000511Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.Electrical & Electronic EquipmentNot Available
CEDs000561Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.Household cleaning & consumer productsNot Available
CEDs000614Essential Oils Or Perfumes?Essential oils and perfumes are complex mixtures of volatile compounds derived from natural or synthetic sources, commonly used for their aromatic properties.Personal care & cosmeticsNot Available
CEDs000696Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.Industrial manufacturing & chemical processingNot Available
CEDs000742Leather Tanning?Leather tanning is a process that transforms raw animal hides into durable leather through the application of various chemicals, including chromium salts, aldehydes, and vegetable tannins.Textiles, leather & furnishingsNot Available
CEDs000744Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)
Prediction Confidence Score
0.36
Applicability Domain
0.36
Statistical Significance
2.00e-05
Supporting Reference Compounds
1
E-value
0.155698
Alcohol dehydrogenase 1A structureClick to view 3D structureAlcohol dehydrogenase 1AP07327HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.364
Statistical Significance
2.00e-05
Supporting Reference Compounds
8
E-value
0.155698
All-trans-retinol dehydrogenase [NAD(+)] ADH1B structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH1BP00325HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.36
Statistical Significance
4.00e-05
Supporting Reference Compounds
6
E-value
0.311397
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.21
Applicability Domain
0.241 Low confidence
Statistical Significance
0.488
Supporting Reference Compounds
400
E-value
3798.89
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.241 Low confidence
Statistical Significance
0.5246
Supporting Reference Compounds
472
E-value
4083.81
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.205
Applicability Domain
0.241 Low confidence
Statistical Significance
0.4706
Supporting Reference Compounds
407
E-value
3663.43
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.204
Applicability Domain
0.241 Low confidence
Statistical Significance
0.4423
Supporting Reference Compounds
332
E-value
3442.96
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.203
Applicability Domain
0.241 Low confidence
Statistical Significance
0.483
Supporting Reference Compounds
372
E-value
3760.27
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.197
Applicability Domain
0.231 Low confidence
Statistical Significance
0.5901
Supporting Reference Compounds
266
E-value
4593.65
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.191
Applicability Domain
0.231 Low confidence
Statistical Significance
0.4454
Supporting Reference Compounds
207
E-value
3467.17
Click to view 3D structureEpoxide hydrolase 1P07099HumansPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.2 Low confidence
Statistical Significance
0.1484
Supporting Reference Compounds
18
E-value
1155.59
Click to view 3D structureEpoxide hydrolase 1Q9D379Mus musculusPredicted (SEA)
Prediction Confidence Score
0.188
Applicability Domain
0.2 Low confidence
Statistical Significance
0.0455
Supporting Reference Compounds
8
E-value
354.603
Bile salt-activated lipase structureClick to view 3D structureBile salt-activated lipaseP19835HumansPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.184 Low confidence
Statistical Significance
0.0103
Supporting Reference Compounds
1
E-value
79.8733
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.231 Low confidence
Statistical Significance
0.7822
Supporting Reference Compounds
297
E-value
6089.21
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.241 Low confidence
Statistical Significance
0.7234
Supporting Reference Compounds
258
E-value
5631.46
Camphor 5-monooxygenase structureClick to view 3D structureCamphor 5-monooxygenaseP00183Pseudomonas putidaPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.182 Low confidence
Statistical Significance
0.0054
Supporting Reference Compounds
1
E-value
42.4278
Alcohol dehydrogenase 1C structureClick to view 3D structureAlcohol dehydrogenase 1CP00326HumansPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.36
Statistical Significance
1.60e-04
Supporting Reference Compounds
4
E-value
1.24559
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.241 Low confidence
Statistical Significance
0.6826
Supporting Reference Compounds
200
E-value
5313.75
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.177
Applicability Domain
0.231 Low confidence
Statistical Significance
0.9026
Supporting Reference Compounds
385
E-value
7026.75
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.231 Low confidence
Statistical Significance
0.9254
Supporting Reference Compounds
373
E-value
7204.56
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.2 Low confidence
Statistical Significance
0.7234
Supporting Reference Compounds
93
E-value
5631.61
Click to view 3D structureProlyl endopeptidaseP27028Elizabethkingia meningosepticaPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.167 Low confidence
Statistical Significance
0.1627
Supporting Reference Compounds
1
E-value
1266.45
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.219 Low confidence
Statistical Significance
0.9063
Supporting Reference Compounds
292
E-value
7055.55
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.214 Low confidence
Statistical Significance
0.9817
Supporting Reference Compounds
553
E-value
7642.85
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.188 Low confidence
Statistical Significance
0.9931
Supporting Reference Compounds
1130
E-value
7731.36
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available