6-O-desmethyl-MPA (DM-MPA) (CED0052314)

Record Information
Version1.0
Creation Date2026-04-06 09:30:21 UTC
Update Date2026-05-21 10:23:19 UTC
SynCED IDCED0052314
Secondary Accession Numbers
  • CHEM121680
Identification
Common Name6-O-desmethyl-MPA (DM-MPA)
ClassSmall Molecule
Description
6-O-desmethyl-MPA (DM-MPA) belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. This compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Additional sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Lubricants are listed as sources within both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. One further sector is also recorded as a source. Recorded exposure routes for 6-O-desmethyl-MPA (DM-MPA) include inhalation, oral exposure, and touch.
Contaminant Type
  • PFAS
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaNot Available
Average Molecular MassNot Available
Monoisotopic MassNot Available
CAS Registry Number31858-65-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C16H18O6/c1-8(4-6-12(17)18)3-5-10-14(19)9(2)11-7-22-16(21)13(11)15(10)20/h3,19-20H,4-7H2,1-2H3,(H,17,18)/b8-3+
InChI KeyMHSRNZSBNXFMLF-FPYGCLRLSA-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
1074.0 Log mg/kg [600:1900]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 EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.Electrical & Electronic EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.Electrical & Electronic EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.Textiles, leather & furnishingsNot Available
CEDs000454Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.Textiles, leather & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Inosine-5'-monophosphate dehydrogenase 1 structureClick to view 3D structureInosine-5'-monophosphate dehydrogenase 1P20839HumansPredicted (SEA)
Prediction Confidence Score
0.381
Applicability Domain
0.796
Statistical Significance
7.00e-05
Supporting Reference Compounds
8
E-value
0.544945
Inosine-5'-monophosphate dehydrogenase 2 structureClick to view 3D structureInosine-5'-monophosphate dehydrogenase 2P12268HumansPredicted (SEA)
Prediction Confidence Score
0.322
Applicability Domain
0.796
Statistical Significance
0.0013
Supporting Reference Compounds
26
E-value
9.88685
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.489
Statistical Significance
0.2949
Supporting Reference Compounds
1660
E-value
2295.54
UDP-glucuronosyltransferase 2B7 structureClick to view 3D structureUDP-glucuronosyltransferase 2B7P16662HumansPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.796
Statistical Significance
3.00e-05
Supporting Reference Compounds
4
E-value
0.233548
Proto-oncogene tyrosine-protein kinase Src structureClick to view 3D structureProto-oncogene tyrosine-protein kinase SrcP12931HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.489
Statistical Significance
0.2961
Supporting Reference Compounds
1158
E-value
2305.43
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.489
Statistical Significance
0.3288
Supporting Reference Compounds
1017
E-value
2559.84
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.489
Statistical Significance
0.2678
Supporting Reference Compounds
708
E-value
2084.88
Hepatocyte growth factor receptor structureClick to view 3D structureHepatocyte growth factor receptorP08581HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.489
Statistical Significance
0.3079
Supporting Reference Compounds
934
E-value
2396.67
Insulin-like growth factor 1 receptor structureClick to view 3D structureInsulin-like growth factor 1 receptorP08069HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.489
Statistical Significance
0.2835
Supporting Reference Compounds
785
E-value
2206.87
Tyrosine-protein kinase receptor UFO structureClick to view 3D structureTyrosine-protein kinase receptor UFOP30530HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.489
Statistical Significance
0.1984
Supporting Reference Compounds
475
E-value
1544.37
Polyunsaturated fatty acid 5-lipoxygenase structureClick to view 3D structurePolyunsaturated fatty acid 5-lipoxygenaseP09917HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.3
Statistical Significance
0.0496
Supporting Reference Compounds
182
E-value
386.444
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.323
Statistical Significance
0.0518
Supporting Reference Compounds
197
E-value
403.57
Focal adhesion kinase 1 structureClick to view 3D structureFocal adhesion kinase 1Q05397HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.489
Statistical Significance
0.3372
Supporting Reference Compounds
615
E-value
2625.0
Serine/threonine-protein kinase Nek2 structureClick to view 3D structureSerine/threonine-protein kinase Nek2P51955HumansPredicted (SEA)
Prediction Confidence Score
0.243
Applicability Domain
0.489
Statistical Significance
0.3547
Supporting Reference Compounds
660
E-value
2761.08
Click to view 3D structureHistidine protein kinase SaeSQ2G2U1Staphylococcus aureus (strain NCTC 8325)Predicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.24 Low confidence
Statistical Significance
1.40e-04
Supporting Reference Compounds
1
E-value
1.08989
Click to view 3D structureSialidaseP10481Clostridium perfringensPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.254 Low confidence
Statistical Significance
0.0029
Supporting Reference Compounds
22
E-value
22.6541
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.3
Statistical Significance
0.1299
Supporting Reference Compounds
201
E-value
1010.95
Click to view 3D structureInhibin alpha chainP05111HumansPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.234 Low confidence
Statistical Significance
0.0014
Supporting Reference Compounds
1
E-value
11.1324
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.257 Low confidence
Statistical Significance
0.2491
Supporting Reference Compounds
425
E-value
1939.22
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.297 Low confidence
Statistical Significance
0.2975
Supporting Reference Compounds
406
E-value
2316.4
Click to view 3D structureReplicative DNA helicaseA0A6L8Q2B7Bacillus anthracisPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.23 Low confidence
Statistical Significance
0.0116
Supporting Reference Compounds
1
E-value
90.2272
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.292 Low confidence
Statistical Significance
0.1073
Supporting Reference Compounds
117
E-value
835.244
Elongation factor 2 structureClick to view 3D structureElongation factor 2P58252Mus musculusPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.228 Low confidence
Statistical Significance
9.00e-04
Supporting Reference Compounds
1
E-value
7.00643
Click to view 3D structureTransient receptor potential cation channel subfamily A member 1Q6RI86Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.275 Low confidence
Statistical Significance
0.0317
Supporting Reference Compounds
56
E-value
246.471
Click to view 3D structureTransient receptor potential cation channel subfamily M member 8Q8R455Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.226
Applicability Domain
0.275 Low confidence
Statistical Significance
0.0119
Supporting Reference Compounds
23
E-value
92.7184
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available