Jump To Section:

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2006-08-13 16:24:27 UTC

Update Date

2023-02-21 17:16:59 UTC

HMDB ID

HMDB0004296

Secondary Accession Numbers

HMDB04296

Metabolite Identification

Common Name

Acrylamide

Description

Acrylamide (or acrylic amide) is an organic compound with the chemical formula CH2=CHC(O)NH2. It is a white odorless solid, soluble in water and several organic solvents. It is produced industrially as a precursor to polyacrylamides, which find many uses as water-soluble thickeners and flocculation agents. It is highly toxic, likely to be carcinogenic,and partly for that reason it is mainly handled as an aqueous solution. It is a chemical used in many industries around the world and more recently was found to form naturally in foods cooked at high temperatures. Acrylamide is a neurotoxicant, reproductive toxicant, and carcinogen in animal species. Only the neurotoxic effects have been observed in humans and only at high levels of exposure in occupational settings. The mechanism underlying neurotoxic effects of ACR may be basic to the other toxic effects seen in animals. This mechanism involves interference with the kinesin-related motor proteins in nerve cells or with fusion proteins in the formation of vesicles at the nerve terminus and eventual cell death. Neurotoxicity and resulting behavioral changes can affect reproductive performance of ACR-exposed laboratory animals with resulting decreased reproductive performance. Further, the kinesin motor proteins are important in sperm motility, which could alter reproduction parameters. Effects on kinesin proteins could also explain some of the genotoxic effects on ACR. These proteins form the spindle fibers in the nucleus that function in the separation of chromosomes during cell division. This could explain the clastogenic effects of the chemical noted in a number of tests for genotoxicity and assays for germ cell damage. Other mechanisms underlying ACR-induced carcinogenesis or nerve toxicity are likely related to an affinity for sulfhydryl groups on proteins. Binding of the sulfhydryl groups could inactive proteins/enzymes involved in DNA repair and other critical cell functions. Direct interaction with DNA may or may not be a major mechanism for cancer induction in animals. The DNA adducts that form do not correlate with tumor sites and ACR is mostly negative in gene mutation assays except at high doses that may not be achievable in the diet. All epidemiologic studies fail to show any increased risk of cancer from either high-level occupational exposure or the low levels found in the diet. In fact, two of the epidemiologic studies show a decrease in cancer of the large bowel. A number of risk assessment studies were performed to estimate increased cancer risk. The results of these studies are highly variable depending on the model. There is universal consensus among international food safety groups in all countries that examined the issue of ACR in the diet that not enough information is available at this time to make informed decisions on which to base any regulatory action. Too little is known about levels of this chemical in different foods and the potential risk from dietary exposure. Avoidance of foods containing ACR would result in worse health issues from an unbalanced diet or pathogens from under cooked foods. There is some consensus that low levels of ACR in the diet are not a concern for neurotoxicity or reproductive toxicity in humans, although further research is need to study the long-term, low-level cumulative effects on the nervous system. Any relationship to cancer risk from dietary exposure is hypothetical at this point and awaits more definitive studies. (PMID:17492525 ).

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Propenamide	ChEBI
Akrylamid	ChEBI
Ethylenecarboxamide	ChEBI
2-Propeneamide	HMDB
Acrylagel	HMDB
Acrylic acid amide	HMDB
Acrylic amide	HMDB
Aerofloc 3453	HMDB
American cyanamid kpam	HMDB
American cyanamid P-250	HMDB
Amid kyseliny akrylove	HMDB
Amide propenoate	HMDB
Amide propenoic acid	HMDB
Aminogen pa	HMDB
amresco Acryl-40	HMDB
bio-Gel P 2	HMDB
BioGel P-100	HMDB
Cyanamer P 250	HMDB
Cyanamer P 35	HMDB
Cytame 5	HMDB
Dow et 597	HMDB
Ethylene carboxamide	HMDB
Flokonit e	HMDB
Flygtol GB	HMDB
Gelamide 250	HMDB
Himoloc SS 200	HMDB
K-Pam	HMDB
Magnafloc R 292	HMDB
Nacolyte 673	HMDB
Optimum	HMDB
Polyacrylamide	HMDB
Polyacrylamide resin	HMDB
Polyacrylamide solution	HMDB
Polyhall 27	HMDB
Polyhall 402	HMDB
Polystolon	HMDB
Polystoron	HMDB
Porisutoron	HMDB
Praestol 2800	HMDB
Prop-2-enamide	HMDB
Propenamide	HMDB
Propeneamide	HMDB
Propenoate	HMDB
Propenoic acid	HMDB
Propenoic acid amide	HMDB
Reten 420	HMDB
Sanpoly a 520	HMDB
Solvitose 433	HMDB
Stipix ad	HMDB
Stokopol D 2624	HMDB
Sumirez a 17	HMDB
Sumirez a 27	HMDB
Sumitex a 1	HMDB
Superfloc 84	HMDB
Superfloc 900	HMDB
Sursolan P 5	HMDB
Versicol W 11	HMDB
Vinyl amide	HMDB

Chemical Formula

C₃H₅NO

Average Molecular Weight

71.0779

Monoisotopic Molecular Weight

71.037113787

IUPAC Name

prop-2-enamide

Traditional Name

acrylamide

CAS Registry Number

79-06-1

SMILES

NC(=O)C=C

InChI Identifier

InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

InChI Key

HRPVXLWXLXDGHG-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as carboximidic acids. These are organic acids with the general formula RC(=N)-OH (R=H, organic group).

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboximidic acids and derivatives

Sub Class

Carboximidic acids

Direct Parent

Carboximidic acids

Alternative Parents

Substituents

Carboximidic acid
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

acrylamides (CHEBI:28619 )
a small molecule (ACRYLAMIDE )

Ontology

Physiological effect

Health effect

Urinary incontinence (HMDB: HMDB0004296)

Digestive system disorder

Gastrointestinal disorder

Nausea (HMDB: HMDB0004296)

Disposition

Biological location

Cellular substructure

Cytoplasm (HMDB: HMDB0004296)
Extracellular (HMDB: HMDB0004296)

Tissue

All Tissues (HMDB: HMDB0004296)

Route of exposure

Parenteral

Dermal (HMDB: HMDB0004296)
Inhalation (HMDB: HMDB0004296)

Enteral

Ingestion (HMDB: HMDB0004296)

Source

Endogenous

Endogenous (HMDB: HMDB0004296)

Exogenous

Environmental

Tobacco Smoke (HMDB: HMDB0004296)

Food

Animal origin

Poultry

Greylag goose (FooDB: FOOD00368)
Guinea hen (FooDB: FOOD00373)
Ostrich (FooDB: FOOD00422)
Velvet duck (FooDB: FOOD00427)
Pheasant (FooDB: FOOD00430)
Squab (FooDB: FOOD00481)
Turkey (FooDB: FOOD00494)
Quail (FooDB: FOOD00541)
Anatidae (FooDB: FOOD00576)
Rock ptarmigan (FooDB: FOOD00597)
Columbidae (Dove, Pigeon) (FooDB: FOOD00610)
Chicken (FooDB: FOOD00329)
Mallard duck (FooDB: FOOD00353)
Emu (FooDB: FOOD00360)

Equine

Horse (FooDB: FOOD00378)

Lagomorph

Ovis

Sheep (Mutton, Lamb) (FooDB: FOOD00473)

Bovine

Venison

Deer (FooDB: FOOD00524)
Mule deer (FooDB: FOOD00348)
Elk (FooDB: FOOD00359)

Caprae

Domestic goat (FooDB: FOOD00529)

Swine

Domestic pig (FooDB: FOOD00536)
Wild boar (FooDB: FOOD00307)

Process

Not Available

Role

Indirect biological role

Metabotoxin

Neurotoxin (HMDB: HMDB0004296)
Neurotoxin (HMDB: HMDB0004296)

Carcinogen (HMDB: HMDB0004296)
Maillard reaction product (HMDB: HMDB0004296)

Biological role

Environmental role

Air pollutant (HMDB: HMDB0004296)

Industrial application

Food and nutrition

Food and nutrition (HMDB: HMDB0004296)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	84.5 °C	Not Available
Boiling Point	192.60 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Water Solubility	390 mg/mL at 25 °C	Not Available
LogP	-0.67	HANSCH,C ET AL. (1995)

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	120 g/L	ALOGPS
logP	-0.65	ALOGPS
logP	-0.27	ChemAxon
logS	0.23	ALOGPS
pKa (Strongest Acidic)	16.7	ChemAxon
pKa (Strongest Basic)	0.0026	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	43.09 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	19.11 m³·mol⁻¹	ChemAxon
Polarizability	6.88 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	112.08	31661259
DarkChem	[M-H]-	104.174	31661259
DeepCCS	[M+H]+	120.679	30932474
DeepCCS	[M-H]-	118.259	30932474
DeepCCS	[M-2H]-	154.249	30932474
DeepCCS	[M+Na]+	128.794	30932474
AllCCS	[M+H]+	121.5	32859911
AllCCS	[M+H-H2O]+	116.9	32859911
AllCCS	[M+NH4]+	125.8	32859911
AllCCS	[M+Na]+	127.0	32859911
AllCCS	[M-H]-	128.6	32859911
AllCCS	[M+Na-2H]-	134.2	32859911
AllCCS	[M+HCOO]-	140.3	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Acrylamide	NC(=O)C=C	1903.9	Standard polar	33892256
Acrylamide	NC(=O)C=C	726.4	Standard non polar	33892256
Acrylamide	NC(=O)C=C	828.6	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Acrylamide,1TMS,isomer #1	C=CC(=O)N[Si](C)(C)C	961.4	Semi standard non polar	33892256
Acrylamide,1TMS,isomer #1	C=CC(=O)N[Si](C)(C)C	1055.8	Standard non polar	33892256
Acrylamide,1TMS,isomer #1	C=CC(=O)N[Si](C)(C)C	1272.8	Standard polar	33892256
Acrylamide,2TMS,isomer #1	C=CC(=O)N([Si](C)(C)C)[Si](C)(C)C	1118.2	Semi standard non polar	33892256
Acrylamide,2TMS,isomer #1	C=CC(=O)N([Si](C)(C)C)[Si](C)(C)C	1071.7	Standard non polar	33892256
Acrylamide,2TMS,isomer #1	C=CC(=O)N([Si](C)(C)C)[Si](C)(C)C	1202.4	Standard polar	33892256
Acrylamide,1TBDMS,isomer #1	C=CC(=O)N[Si](C)(C)C(C)(C)C	1205.9	Semi standard non polar	33892256
Acrylamide,1TBDMS,isomer #1	C=CC(=O)N[Si](C)(C)C(C)(C)C	1246.1	Standard non polar	33892256
Acrylamide,1TBDMS,isomer #1	C=CC(=O)N[Si](C)(C)C(C)(C)C	1432.7	Standard polar	33892256
Acrylamide,2TBDMS,isomer #1	C=CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1561.4	Semi standard non polar	33892256
Acrylamide,2TBDMS,isomer #1	C=CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1526.3	Standard non polar	33892256
Acrylamide,2TBDMS,isomer #1	C=CC(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	1430.3	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Acrylamide EI-B (Non-derivatized)	splash10-05dl-9000000000-7803f8bd1c25c6f33593	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Acrylamide EI-B (Non-derivatized)	splash10-0fbc-9000000000-5172c72b521a27969d00	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Acrylamide EI-B (Non-derivatized)	splash10-05dl-9000000000-1bf9b49a192db4be5718	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Acrylamide EI-B (Non-derivatized)	splash10-05dl-9000000000-7803f8bd1c25c6f33593	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Acrylamide EI-B (Non-derivatized)	splash10-0fbc-9000000000-5172c72b521a27969d00	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Acrylamide EI-B (Non-derivatized)	splash10-05dl-9000000000-1bf9b49a192db4be5718	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acrylamide GC-MS (Non-derivatized) - 70eV, Positive	splash10-00b9-9000000000-5bef29cbd40aff79956d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acrylamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Acrylamide GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide Quattro_QQQ 10V, Positive-QTOF (Annotated)	splash10-05fr-9000000000-7b30073e15256ba58af1	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide Quattro_QQQ 25V, Positive-QTOF (Annotated)	splash10-0udi-9000000000-26ca703d558096e73e80	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide Quattro_QQQ 40V, Positive-QTOF (Annotated)	splash10-0kfx-9000000000-da086ba0e1b4f10d534f	2012-07-25	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide EI-B (Unknown) , Positive-QTOF	splash10-05dl-9000000000-2c812f3ba789fd949662	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide EI-B (HITACHI RMU-7M) , Positive-QTOF	splash10-0fbc-9000000000-133d475aa82b7785e9d9	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide EI-B (HITACHI M-60) , Positive-QTOF	splash10-05dl-9000000000-1a51b235c01925474be9	2012-08-31	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide 20V, Positive-QTOF	splash10-0a4i-9000000000-9abb65794a256ec349d9	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide 40V, Positive-QTOF	splash10-0006-9000000000-731632d5d897092e8793	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Acrylamide 10V, Positive-QTOF	splash10-0a4i-9000000000-7ae060a514404849e18b	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 10V, Positive-QTOF	splash10-0ab9-9000000000-266bb2ee5e50895cafcd	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 20V, Positive-QTOF	splash10-0a4i-9000000000-f050957a0d6ea8faffa9	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 40V, Positive-QTOF	splash10-0a6r-9000000000-c07c1b77eefb52c831b3	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 10V, Negative-QTOF	splash10-00di-9000000000-aeb4a4f6e2bfac854f78	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 20V, Negative-QTOF	splash10-00di-9000000000-9dbeef50bde3f71563c7	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 40V, Negative-QTOF	splash10-0f6x-9000000000-a47b3ab799000bb0943f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 10V, Positive-QTOF	splash10-0a4i-9000000000-3f00472f65fff4471b25	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 20V, Positive-QTOF	splash10-0a4i-9000000000-f7af528f16b7b525e1d9	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 40V, Positive-QTOF	splash10-0pbc-9000000000-a4a3d985da910e7d55bd	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 10V, Negative-QTOF	splash10-00di-9000000000-824624715e96152c7f47	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 20V, Negative-QTOF	splash10-006x-9000000000-9c5330c894f80f4d61fe	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Acrylamide 40V, Negative-QTOF	splash10-0006-9000000000-90726b17dc36e29c5299	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Experimental 1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-16	Wishart Lab	View Spectrum
Experimental 2D NMR	[¹H, ¹³C]-HSQC NMR Spectrum (2D, 600 MHz, H₂O, experimental)	2012-12-05	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

BiGG ID

Not Available

Wikipedia Link

Acrylamide

METLIN ID

Not Available

PubChem Compound

6579

PDB ID

Not Available

ChEBI ID

28619

Food Biomarker Ontology

Not Available

VMH ID

MarkerDB ID

Not Available

Good Scents ID

rw1216131

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Download (PDF)

General References

Exon JH: A review of the toxicology of acrylamide. J Toxicol Environ Health B Crit Rev. 2006 Sep-Oct;9(5):397-412. [PubMed:17492525 ]

Showing metabocard for Acrylamide (HMDB0004296)

MOL for HMDB0004296 (Acrylamide)

3D MOL for HMDB0004296 (Acrylamide)

3D SDF for HMDB0004296 (Acrylamide)

3D-SDF for HMDB0004296 (Acrylamide)

PDB for HMDB0004296 (Acrylamide)

3D PDB for HMDB0004296 (Acrylamide)

SMILES for HMDB0004296 (Acrylamide)

INCHI for HMDB0004296 (Acrylamide)

Structure for HMDB0004296 (Acrylamide)

3D Structure for HMDB0004296 (Acrylamide)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

IR Spectra