You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on Human Metabolome Database.
Record Information |
---|
Version | 5.0 |
---|
Status | Detected and Quantified |
---|
Creation Date | 2005-11-16 15:48:42 UTC |
---|
Update Date | 2021-11-15 21:04:27 UTC |
---|
HMDB ID | HMDB0000149 |
---|
Secondary Accession Numbers | - HMDB00149
- HMDB0060149
- HMDB0062693
- HMDB60149
- HMDB62693
|
---|
Metabolite Identification |
---|
Common Name | Ethanolamine |
---|
Description | Ethanolamine (MEA), also known as monoethanolamine, aminoethanol or glycinol, belongs to the class of organic compounds known as 1,2-aminoalcohols (or simply aminoalcohols). These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. Ethanolamine is a colorless, viscous liquid with an odor reminiscent of ammonia. In pharmaceutical formulations, ethanolamine is used primarily for buffering or preparation of emulsions. Ethanolamine can also be used as pH regulator in cosmetics. Biologically, ethanolamine is an initial precursor for the biosynthesis of two primary phospholipid classes, phosphatidylcholine (PC) and phosphatidylethanolamine (PE). In this regard, ethanolamine is the second-most-abundant head group for phospholipids. Ethanolamine serves as a precursor for a variety of N-acylethanolamines (NAEs). These are molecules that modulate several animal and plant physiological processes such as seed germination, plant-pathogen interactions, chloroplast development and flowering (PMID: 30190434 ). Ethanolamine, when combined with arachidonic acid (C20H32O2; 20:4, ω-6), can also form the endocannabinoid anandamide. Ethanolamine can be converted to phosphoethanolamine via the enzyme known as ethanolamine kinase. the two substrates of this enzyme are ATP and ethanolamine, whereas its two products are ADP and O-phosphoethanolamine. In most plants ethanolamine is biosynthesized by decarboxylation of serine via a pyridoxal 5'-phosphate-dependent l-serine decarboxylase (SDC). Ethanolamine exists in all living species, ranging from bacteria to plants to humans. Ethanolamine has been detected, but not quantified in, several different foods, such as narrowleaf cattails, mung beans, blackcurrants, white cabbages, and bilberries. |
---|
Structure | InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2 |
---|
Synonyms | Value | Source |
---|
1-Amino-2-hydroxyethane | ChEBI | 2-Amino-1-ethanol | ChEBI | 2-Amino-ethanol | ChEBI | 2-Aminoethan-1-ol | ChEBI | 2-Aminoethyl alcohol | ChEBI | 2-Hydroxyethylamine | ChEBI | Aethanolamin | ChEBI | Aminoethanol | ChEBI | beta-Aminoethanol | ChEBI | beta-Aminoethyl alcohol | ChEBI | beta-Ethanolamine | ChEBI | beta-Hydroxyethylamine | ChEBI | Colamine | ChEBI | ETA | ChEBI | Glycinol | ChEBI | Hea | ChEBI | MEA | ChEBI | MONOETHANOLAMINE | ChEBI | b-Aminoethanol | Generator | Β-aminoethanol | Generator | b-Aminoethyl alcohol | Generator | Β-aminoethyl alcohol | Generator | b-Ethanolamine | Generator | Β-ethanolamine | Generator | b-Hydroxyethylamine | Generator | Β-hydroxyethylamine | Generator | 2-Aminoethanol | HMDB | 2-Ethanolamine | HMDB | 2-Hydroxyethanamine | HMDB | Envision conditioner PDD 9020 | HMDB | Ethylolamine | HMDB | H-Glycinol | HMDB | Monoaethanolamin | HMDB | Olamine | HMDB | 2 Aminoethanol | HMDB | Ethanolamine | PhytoBank | Kolamin | PhytoBank |
|
---|
Chemical Formula | C2H7NO |
---|
Average Molecular Weight | 61.0831 |
---|
Monoisotopic Molecular Weight | 61.052763851 |
---|
IUPAC Name | 2-aminoethan-1-ol |
---|
Traditional Name | ethanolamine |
---|
CAS Registry Number | 141-43-5 |
---|
SMILES | NCCO |
---|
InChI Identifier | InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2 |
---|
InChI Key | HZAXFHJVJLSVMW-UHFFFAOYSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as 1,2-aminoalcohols. These are organic compounds containing an alkyl chain with an amine group bound to the C1 atom and an alcohol group bound to the C2 atom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic nitrogen compounds |
---|
Class | Organonitrogen compounds |
---|
Sub Class | Amines |
---|
Direct Parent | 1,2-aminoalcohols |
---|
Alternative Parents | |
---|
Substituents | - 1,2-aminoalcohol
- Organic oxygen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Primary amine
- Primary alcohol
- Organooxygen compound
- Primary aliphatic amine
- Alcohol
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect
|
Adverse health effect
|
Disposition
|
Biological location
|
Process
|
Naturally occurring process
|
Physical Properties |
---|
State | Liquid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | 10.5 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | 1000 mg/mL | Not Available | LogP | -1.31 | HANSCH,C ET AL. (1995) |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedMetabolite | SMILES | Kovats RI Value | Column Type | Reference |
---|
Ethanolamine | NCCO | 1422.0 | Standard polar | 33892256 | Ethanolamine | NCCO | 652.8 | Standard non polar | 33892256 | Ethanolamine | NCCO | 707.1 | Semi standard non polar | 33892256 |
DerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
Ethanolamine,1TMS,isomer #1 | C[Si](C)(C)OCCN | 844.3 | Semi standard non polar | 33892256 | Ethanolamine,1TMS,isomer #2 | C[Si](C)(C)NCCO | 937.6 | Semi standard non polar | 33892256 | Ethanolamine,2TMS,isomer #1 | C[Si](C)(C)NCCO[Si](C)(C)C | 1021.4 | Semi standard non polar | 33892256 | Ethanolamine,2TMS,isomer #1 | C[Si](C)(C)NCCO[Si](C)(C)C | 1063.6 | Standard non polar | 33892256 | Ethanolamine,2TMS,isomer #1 | C[Si](C)(C)NCCO[Si](C)(C)C | 1065.7 | Standard polar | 33892256 | Ethanolamine,2TMS,isomer #2 | C[Si](C)(C)N(CCO)[Si](C)(C)C | 1170.1 | Semi standard non polar | 33892256 | Ethanolamine,2TMS,isomer #2 | C[Si](C)(C)N(CCO)[Si](C)(C)C | 1132.1 | Standard non polar | 33892256 | Ethanolamine,2TMS,isomer #2 | C[Si](C)(C)N(CCO)[Si](C)(C)C | 1242.7 | Standard polar | 33892256 | Ethanolamine,3TMS,isomer #1 | C[Si](C)(C)OCCN([Si](C)(C)C)[Si](C)(C)C | 1281.9 | Semi standard non polar | 33892256 | Ethanolamine,3TMS,isomer #1 | C[Si](C)(C)OCCN([Si](C)(C)C)[Si](C)(C)C | 1245.9 | Standard non polar | 33892256 | Ethanolamine,3TMS,isomer #1 | C[Si](C)(C)OCCN([Si](C)(C)C)[Si](C)(C)C | 1136.0 | Standard polar | 33892256 | Ethanolamine,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCCN | 1044.9 | Semi standard non polar | 33892256 | Ethanolamine,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)NCCO | 1165.4 | Semi standard non polar | 33892256 | Ethanolamine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCO[Si](C)(C)C(C)(C)C | 1448.5 | Semi standard non polar | 33892256 | Ethanolamine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCO[Si](C)(C)C(C)(C)C | 1452.8 | Standard non polar | 33892256 | Ethanolamine,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)NCCO[Si](C)(C)C(C)(C)C | 1378.3 | Standard polar | 33892256 | Ethanolamine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCO)[Si](C)(C)C(C)(C)C | 1550.0 | Semi standard non polar | 33892256 | Ethanolamine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCO)[Si](C)(C)C(C)(C)C | 1548.3 | Standard non polar | 33892256 | Ethanolamine,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)N(CCO)[Si](C)(C)C(C)(C)C | 1454.3 | Standard polar | 33892256 | Ethanolamine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1875.9 | Semi standard non polar | 33892256 | Ethanolamine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1876.9 | Standard non polar | 33892256 | Ethanolamine,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | 1552.7 | Standard polar | 33892256 |
|
---|
Spectra |
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-00di-1900000000-b64e859a0bfc46cdfcbf | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-00di-1900000000-384c99d021f0303a9d78 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (Non-derivatized) | splash10-00di-1900000000-d731dd07c2dfa0287f5f | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies) (3 TMS) | splash10-00di-8900000000-ec4268b6041043d15437 | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-MS (3 TMS) | splash10-00di-2900000000-02697b8ce238020537aa | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine EI-B (Non-derivatized) | splash10-001i-9000000000-7160c3fea0c0159e447a | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine EI-B (Non-derivatized) | splash10-001i-9000000000-2af16a98e43fadfa86a3 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Non-derivatized) | splash10-00di-1900000000-b64e859a0bfc46cdfcbf | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Non-derivatized) | splash10-00di-1900000000-384c99d021f0303a9d78 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Non-derivatized) | splash10-00di-1900000000-d731dd07c2dfa0287f5f | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Non-derivatized) | splash10-00di-8900000000-ec4268b6041043d15437 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-MS (Non-derivatized) | splash10-00di-2900000000-02697b8ce238020537aa | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Experimental GC-MS | GC-MS Spectrum - Ethanolamine GC-EI-TOF (Non-derivatized) | splash10-0fki-2900000000-37831b0ceb554ca4edd2 | 2017-09-12 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ethanolamine GC-MS (Non-derivatized) - 70eV, Positive | splash10-001i-9000000000-e06e8502ffb0d4113432 | 2016-09-22 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ethanolamine GC-MS (1 TMS) - 70eV, Positive | splash10-001i-9100000000-e2cbdef448451ceae424 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ethanolamine GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ethanolamine GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ethanolamine GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - Ethanolamine GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-001i-9000000000-b8e7ed9f5ad724511431 | 2014-09-20 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-03dl-9000000000-17dee0c07bf5cddb79ce | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-03di-9000000000-04f4c1792f8ab4f4646f | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-03di-9000000000-761836be8f1018081210 | 2012-07-24 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine EI-B (HITACHI RMU-7M) , Positive-QTOF | splash10-001i-9000000000-7160c3fea0c0159e447a | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine EI-B (HITACHI M-68) , Positive-QTOF | splash10-001i-9000000000-2af16a98e43fadfa86a3 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-03di-9000000000-ae5b80bd3c5c11914ea6 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF | splash10-0006-9000000000-6abb3d0944e188778c65 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF | splash10-0007-9000000000-e477e52f411d933a30b7 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF | splash10-0006-9000000000-d7979261a3716365d5ae | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF | splash10-03di-9000000000-5c0261b2dcc6ae1291a1 | 2012-08-31 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ , positive-QTOF | splash10-03di-9000000000-ae5b80bd3c5c11914ea6 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ , positive-QTOF | splash10-0006-9000000000-6abb3d0944e188778c65 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ , positive-QTOF | splash10-0007-9000000000-e477e52f411d933a30b7 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ , positive-QTOF | splash10-0006-9000000000-d7979261a3716365d5ae | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine LC-ESI-QQ , positive-QTOF | splash10-03di-9000000000-5c0261b2dcc6ae1291a1 | 2017-09-14 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine 0V, Positive-QTOF | splash10-03di-9000000000-f09b61222ca342d2835c | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine 10V, Positive-QTOF | splash10-03di-9000000000-3f9346b7fb6fdd5c5ce8 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine 30V, Positive-QTOF | splash10-03di-9000000000-f73d8d00f0f234521971 | 2021-09-20 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - Ethanolamine 10V, Positive-QTOF | splash10-03di-9000000000-eec6f92ad146ef43c111 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethanolamine 10V, Positive-QTOF | splash10-03di-9000000000-9e6d219a7fbd8624cd6b | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethanolamine 20V, Positive-QTOF | splash10-01ox-9000000000-fb9020ee9b301ec7766f | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethanolamine 40V, Positive-QTOF | splash10-0006-9000000000-a4ae359cfcc0245b4d19 | 2015-05-26 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethanolamine 10V, Negative-QTOF | splash10-03di-9000000000-b6ed81bc049b8d3042f6 | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethanolamine 20V, Negative-QTOF | splash10-03dl-9000000000-78c77096ed599182b5bb | 2015-05-27 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - Ethanolamine 40V, Negative-QTOF | splash10-0006-9000000000-f199cbf8312e0b466f1b | 2015-05-27 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Experimental 1D NMR | 1H NMR Spectrum (1D, 600 MHz, H2O, experimental) | 2012-12-04 | 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 | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-04 | Wishart Lab | View Spectrum |
|
---|
Biological Properties |
---|
Cellular Locations | |
---|
Biospecimen Locations | - Blood
- Breast Milk
- Cerebrospinal Fluid (CSF)
- Feces
- Saliva
- Urine
|
---|
Tissue Locations | - Brain
- Epidermis
- Neuron
- Pancreas
- Placenta
|
---|
Pathways | |
---|
Normal Concentrations |
---|
| |
Blood | Detected and Quantified | 52.3 (26.2-91.7) uM | Newborn (0-30 days old) | Both | Normal | | details | Blood | Detected and Quantified | 1.6 (0.0-11.5) uM | Adult (>18 years old) | Both | Normal | | details | Blood | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Breast Milk | Detected and Quantified | 46.2 +/- 18.1 uM | Adult (>18 years old) | Female | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 14.1 +/- 3.0 uM | Adult (>18 years old) | Both | Normal | | details | Cerebrospinal Fluid (CSF) | Detected and Quantified | 8.43 (2.62-14.24) uM | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Infant (0-1 year old) | Not Available | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Not Specified | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Female | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Not Specified | Not Specified | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Infant (0-1 year old) | Not Specified | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Infant (0-1 year old) | Not Specified | Normal | | details | Feces | Detected but not Quantified | Not Quantified | Infant (0-1 year old) | Both | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Male | Normal | | details | Saliva | Detected and Quantified | 135.99 +/- 96.22 uM | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 30.9 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 17.87-67.42 umol/mmol creatinine | Adolescent (13-18 years old) | Not Specified | Normal | | details | Urine | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 10.75-53.28 umol/mmol creatinine | Adult (>18 years old) | Not Specified | Normal | | details | Urine | Detected and Quantified | 4.91-24.57 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 31.89-427.74 umol/mmol creatinine | Infant (0-1 year old) | Not Specified | Normal | | details | Urine | Detected and Quantified | 42.75 umol/mmol creatinine | Adult (>18 years old) | Male | Normal | | details | Urine | Detected and Quantified | 37.1 (24.8-56.2) umol/mmol creatinine | Adult (>18 years old) | Both | Normal | | details | Urine | Detected and Quantified | 28.96-107.12 umol/mmol creatinine | Children (1-13 years old) | Not Specified | Normal | | details | Urine | Detected and Quantified | 73.129 +/- 27.908 umol/mmol creatinine | Children (1 - 13 years old) | Not Specified | Normal | | details | Urine | Detected and Quantified | 21.83-72.73 umol/mmol creatinine | Children (1-13 years old) | Not Specified | Normal | | details | Urine | Detected and Quantified | 29.5 +/- 7.8 umol/mmol creatinine | Adult (>18 years old) | Both | Normal | - Geigy Scientific ...
- West Cadwell, N.J...
- Basel, Switzerlan...
| details | Urine | Detected and Quantified | 15.50-63.80 umol/mmol creatinine | Children (1-13 years old) | Not Specified | Normal | | details |
|
---|
Abnormal Concentrations |
---|
| |
Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal Cancer | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Irritable bowel syndrome | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Ulcerative colitis | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal cancer | | details | Feces | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Colorectal cancer | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Oral cancer | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Female | Breast cancer | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Not Specified | Pancreatic cancer | | details | Saliva | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Not Specified | Periodontal diseases | | details | Urine | Detected but not Quantified | Not Quantified | Adult (>18 years old) | Both | Bladder cancer | | details | Urine | Detected and Quantified | 0.0028 - 0.0087 umol/mmol creatinine | Adult (>18 years old) | Both | ADPKD | | details | Urine | Detected and Quantified | 74.192 +/- 41.507 umol/mmol creatinine | Children (1 - 13 years old) | Not Specified | Eosinophilic esophagitis | | details | Urine | Detected and Quantified | 31.7 +/- 6.5 umol/mmol creatinine | Adult (>18 years old) | Both | 3-Hydroxy-3- methylglutaryl-CoA lyase (HL) deficency | | details | Urine | Detected and Quantified | 39.7 +/- 0 umol/mmol creatinine | Adult (>18 years old) | Both | Propionic acidemia | | details | Urine | Detected and Quantified | 99.7 +/- 3.3 umol/mmol creatinine | Adult (>18 years old) | Both | Maple syrup urine disease | | details | Urine | Detected and Quantified | 51.9 +/- 0 umol/mmol creatinine | Adult (>18 years old) | Both | Aminoaciduria | | details | Urine | Detected and Quantified | 204-1600 umol/mmol creatinine | Newborn (0-30 days old) | Not Specified | Ethanolaminuria | | details |
|
---|
Associated Disorders and Diseases |
---|
Disease References | Irritable bowel syndrome |
---|
- Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
| Ulcerative colitis |
---|
- Le Gall G, Noor SO, Ridgway K, Scovell L, Jamieson C, Johnson IT, Colquhoun IJ, Kemsley EK, Narbad A: Metabolomics of fecal extracts detects altered metabolic activity of gut microbiota in ulcerative colitis and irritable bowel syndrome. J Proteome Res. 2011 Sep 2;10(9):4208-18. doi: 10.1021/pr2003598. Epub 2011 Aug 8. [PubMed:21761941 ]
| Colorectal cancer |
---|
- Brown DG, Rao S, Weir TL, O'Malia J, Bazan M, Brown RJ, Ryan EP: Metabolomics and metabolic pathway networks from human colorectal cancers, adjacent mucosa, and stool. Cancer Metab. 2016 Jun 6;4:11. doi: 10.1186/s40170-016-0151-y. eCollection 2016. [PubMed:27275383 ]
- Sinha R, Ahn J, Sampson JN, Shi J, Yu G, Xiong X, Hayes RB, Goedert JJ: Fecal Microbiota, Fecal Metabolome, and Colorectal Cancer Interrelations. PLoS One. 2016 Mar 25;11(3):e0152126. doi: 10.1371/journal.pone.0152126. eCollection 2016. [PubMed:27015276 ]
- Goedert JJ, Sampson JN, Moore SC, Xiao Q, Xiong X, Hayes RB, Ahn J, Shi J, Sinha R: Fecal metabolomics: assay performance and association with colorectal cancer. Carcinogenesis. 2014 Sep;35(9):2089-96. doi: 10.1093/carcin/bgu131. Epub 2014 Jul 18. [PubMed:25037050 ]
| Perillyl alcohol administration for cancer treatment |
---|
- Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
| Pancreatic cancer |
---|
- Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
| Periodontal disease |
---|
- Sugimoto M, Wong DT, Hirayama A, Soga T, Tomita M: Capillary electrophoresis mass spectrometry-based saliva metabolomics identified oral, breast and pancreatic cancer-specific profiles. Metabolomics. 2010 Mar;6(1):78-95. Epub 2009 Sep 10. [PubMed:20300169 ]
| Autosomal dominant polycystic kidney disease |
---|
- Gronwald W, Klein MS, Zeltner R, Schulze BD, Reinhold SW, Deutschmann M, Immervoll AK, Boger CA, Banas B, Eckardt KU, Oefner PJ: Detection of autosomal dominant polycystic kidney disease by NMR spectroscopic fingerprinting of urine. Kidney Int. 2011 Jun;79(11):1244-53. doi: 10.1038/ki.2011.30. Epub 2011 Mar 9. [PubMed:21389975 ]
| Propionic acidemia |
---|
- Gronwald W, Klein MS, Kaspar H, Fagerer SR, Nurnberger N, Dettmer K, Bertsch T, Oefner PJ: Urinary metabolite quantification employing 2D NMR spectroscopy. Anal Chem. 2008 Dec 1;80(23):9288-97. doi: 10.1021/ac801627c. [PubMed:19551947 ]
| Maple syrup urine disease |
---|
- Gronwald W, Klein MS, Kaspar H, Fagerer SR, Nurnberger N, Dettmer K, Bertsch T, Oefner PJ: Urinary metabolite quantification employing 2D NMR spectroscopy. Anal Chem. 2008 Dec 1;80(23):9288-97. doi: 10.1021/ac801627c. [PubMed:19551947 ]
| Eosinophilic esophagitis |
---|
- Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
| Ethanolaminuria |
---|
- Cole DE, Farag S, Dooley KC: Ethanolaminuria: a non-specific laboratory finding in the seriously ill infant. Clin Biochem. 1988 Oct;21(5):297-300. [PubMed:3233740 ]
|
|
---|
Associated OMIM IDs | - 114500 (Colorectal cancer)
- 260350 (Pancreatic cancer)
- 170650 (Periodontal disease)
- 601313 (Autosomal dominant polycystic kidney disease)
- 606054 (Propionic acidemia)
- 248600 (Maple syrup urine disease)
- 610247 (Eosinophilic esophagitis)
|
---|
External Links |
---|
DrugBank ID | DB03994 |
---|
Phenol Explorer Compound ID | Not Available |
---|
FooDB ID | FDB030851 |
---|
KNApSAcK ID | C00007279 |
---|
Chemspider ID | 13835336 |
---|
KEGG Compound ID | C00189 |
---|
BioCyc ID | ETHANOL-AMINE |
---|
BiGG ID | 34189 |
---|
Wikipedia Link | Ethanolamine |
---|
METLIN ID | 3207 |
---|
PubChem Compound | 700 |
---|
PDB ID | Not Available |
---|
ChEBI ID | 16000 |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | ETHA |
---|
MarkerDB ID | MDB00000071 |
---|
Good Scents ID | Not Available |
---|
References |
---|
Synthesis Reference | Soucaille, Philippe. Ethanolamine production by fermentation of genetically modified Escherichia coli. PCT Int. Appl. (2007), 23pp. |
---|
Material Safety Data Sheet (MSDS) | Download (PDF) |
---|
General References | - Engelborghs S, Marescau B, De Deyn PP: Amino acids and biogenic amines in cerebrospinal fluid of patients with Parkinson's disease. Neurochem Res. 2003 Aug;28(8):1145-50. [PubMed:12834252 ]
- Denissen JF, Grabowski BA, Johnson MK, Boyd SA, Uchic JT, Stein H, Cepa S, Hill P: The orally active renin inhibitor A-74273. In vivo and in vitro morpholine ring metabolism in rats, dogs, and humans. Drug Metab Dispos. 1994 Nov-Dec;22(6):880-8. [PubMed:7895605 ]
- Vance JE: Lipoproteins secreted by cultured rat hepatocytes contain the antioxidant 1-alk-1-enyl-2-acylglycerophosphoethanolamine. Biochim Biophys Acta. 1990 Jul 16;1045(2):128-34. [PubMed:2116174 ]
- Alberghina M, Giacchetto A, Cavallaro N: Levels of ethanolamine intermediates in the human and rat visual system structures: comparison with neural tissues of a lower vertebrate (Mustelus canis) and an invertebrate (Loligo pealei). Neurochem Int. 1993 Jan;22(1):45-51. [PubMed:8443564 ]
- Hammond EJ, Uthman BM, Wilder BJ, Ben-Menachem E, Hamberger A, Hedner T, Ekman R: Neurochemical effects of vagus nerve stimulation in humans. Brain Res. 1992 Jun 26;583(1-2):300-3. [PubMed:1504837 ]
- Perschak H, Amsler U, Vischer A, Siegfried J, Cuenod M: Ventricular cerebrospinal fluid concentrations of putative amino acid transmitters in Parkinson's disease and other disorders. Hum Neurobiol. 1987;6(3):191-4. [PubMed:2896652 ]
- Renkonen O: Chromatographic separation of plasmalogenic, alkyl-acyl, and diacyl forms of ethanolamine glycerophosphatides. J Lipid Res. 1968 Jan;9(1):34-9. [PubMed:4295349 ]
- Ginsberg L, Rafique S, Xuereb JH, Rapoport SI, Gershfeld NL: Disease and anatomic specificity of ethanolamine plasmalogen deficiency in Alzheimer's disease brain. Brain Res. 1995 Nov 6;698(1-2):223-6. [PubMed:8581486 ]
- Bluml S, Seymour KJ, Ross BD: Developmental changes in choline- and ethanolamine-containing compounds measured with proton-decoupled (31)P MRS in in vivo human brain. Magn Reson Med. 1999 Oct;42(4):643-54. [PubMed:10502752 ]
- Farooqui AA, Rapoport SI, Horrocks LA: Membrane phospholipid alterations in Alzheimer's disease: deficiency of ethanolamine plasmalogens. Neurochem Res. 1997 Apr;22(4):523-7. [PubMed:9130265 ]
- Mikhaevich IS, Vlasenkova NK, Gerasimova GK: Synergistic antiproliferative effect of cis-diammine-dichloroplatinum (II) and a new anticancer agent, plasmanyl-(N-acyl)-ethanolamine, an inhibitor of protein kinase C. Biomed Sci. 1991;2(6):659-64. [PubMed:1841636 ]
- Thiele I, Swainston N, Fleming RM, Hoppe A, Sahoo S, Aurich MK, Haraldsdottir H, Mo ML, Rolfsson O, Stobbe MD, Thorleifsson SG, Agren R, Bolling C, Bordel S, Chavali AK, Dobson P, Dunn WB, Endler L, Hala D, Hucka M, Hull D, Jameson D, Jamshidi N, Jonsson JJ, Juty N, Keating S, Nookaew I, Le Novere N, Malys N, Mazein A, Papin JA, Price ND, Selkov E Sr, Sigurdsson MI, Simeonidis E, Sonnenschein N, Smallbone K, Sorokin A, van Beek JH, Weichart D, Goryanin I, Nielsen J, Westerhoff HV, Kell DB, Mendes P, Palsson BO: A community-driven global reconstruction of human metabolism. Nat Biotechnol. 2013 May;31(5):419-25. doi: 10.1038/nbt.2488. Epub 2013 Mar 3. [PubMed:23455439 ]
- Elshenawy S, Pinney SE, Stuart T, Doulias PT, Zura G, Parry S, Elovitz MA, Bennett MJ, Bansal A, Strauss JF 3rd, Ischiropoulos H, Simmons RA: The Metabolomic Signature of the Placenta in Spontaneous Preterm Birth. Int J Mol Sci. 2020 Feb 4;21(3). pii: ijms21031043. doi: 10.3390/ijms21031043. [PubMed:32033212 ]
- Coutinho BG, Mevers E, Schaefer AL, Pelletier DA, Harwood CS, Clardy J, Greenberg EP: A plant-responsive bacterial-signaling system senses an ethanolamine derivative. Proc Natl Acad Sci U S A. 2018 Sep 25;115(39):9785-9790. doi: 10.1073/pnas.1809611115. Epub 2018 Sep 6. [PubMed:30190434 ]
|
---|