| Record Information |
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| Version | 5.0 |
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| Status | Detected and Quantified |
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| Creation Date | 2005-11-16 15:48:42 UTC |
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| Update Date | 2021-09-07 16:45:27 UTC |
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| HMDB ID | HMDB0000895 |
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| Secondary Accession Numbers | |
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| Metabolite Identification |
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| Common Name | Acetylcholine |
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| Description | Acetylcholine (ACh) is a neurotransmitter. Acetylcholine in vertebrates is the major transmitter at neuromuscular junctions, autonomic ganglia, parasympathetic effector junctions, a subset of sympathetic effector junctions, and at many sites in the central nervous system. Its physiological and pharmacological effects, metabolism, release, and receptors have been well documented in several species. ACh has been considered an important excitatory neurotransmitter in the carotid body (CB). Various nicotinic and muscarinic ACh receptors are present in both afferent nerve endings and glomus cells. Therefore, ACh can depolarize or hyperpolarize the cell membrane depending on the available receptor type in the vicinity. Binding of ACh to its receptor can create a wide variety of cellular responses including opening cation channels (nicotinic ACh receptor activation), releasing Ca2+ from intracellular storage sites (via muscarinic ACh receptors), and modulating activities of K+ and Ca2+ channels. Interactions between ACh and other neurotransmitters (dopamine, adenosine, nitric oxide) have been known, and they may induce complicated responses. Cholinergic biology in the CB differs among species and even within the same species due to different genetic composition. Development and environment influence cholinergic biology. Pharmacological data clearly indicate that both muscarinic and nicotinic acetylcholine receptors have a role in the encoding of new memories. Localized lesions and antagonist infusions demonstrate the anatomical locus of these cholinergic effects, and computational modeling links the function of cholinergic modulation to specific cellular effects within these regions. Acetylcholine has been shown to increase the strength of afferent input relative to feedback, to contribute to theta rhythm oscillations, activate intrinsic mechanisms for persistent spiking, and increase the modification of synapses. These effects might enhance different types of encoding in different cortical structures. In particular, the effects in entorhinal and perirhinal cortex and hippocampus might be important for encoding new episodic memories. The role of ACh in attention has been repeatedly demonstrated in several tasks. Acetylcholine is linked to response accuracy in voluntary and reflexive attention and also to response speed in reflexive attention. It is well known that those with Attention-deficit/hyperactivity disorders tend to be inaccurate and slow to respond. (PMID:17284361 , 17011181 , 15556286 ). Acetylcholine has been found to be a microbial product, urinary acetylcholine is produced by Lactobacillus (PMID:24621061 ). | Read more...
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| Structure | InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 |
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| Synonyms | | Value | Source |
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| ACh | ChEBI | | Azetylcholin | ChEBI | | Choline acetate | ChEBI | | O-Acetylcholine | ChEBI | | Choline acetic acid | Generator | | Acetylcholine iodide | HMDB | | Acetylcholine perchlorate | HMDB | | Acetylcholine sulfate (1:1) | HMDB | | Bromoacetylcholine | HMDB | | Cusi, acetilcolina | HMDB | | Iodide, acetylcholine | HMDB | | 2-(Acetyloxy)-N,N,N-trimethylethanaminium | HMDB | | Acetilcolina cusi | HMDB | | Acetylcholine fluoride | HMDB | | Acetylcholine L tartrate | HMDB | | Acetylcholine picrate | HMDB | | Chloroacetylcholine | HMDB | | Miochol | HMDB | | Perchlorate, acetylcholine | HMDB | | Acetylcholine L-tartrate | HMDB | | Acetylcholine picrate (1:1) | HMDB | | Hydroxide, acetylcholine | HMDB | | Acetylcholine bromide | HMDB | | Acetylcholine chloride | HMDB | | Acetylcholine hydroxide | HMDB | | Bromide, acetylcholine | HMDB | | Fluoride, acetylcholine | HMDB | | L-Tartrate, acetylcholine | HMDB | | Acetyl choline ion | HMDB | | Acetylcholine cation | HMDB | | Acetylcholinium: acetyl-choline | HMDB | | Choline acetate (ester) | HMDB | | Bournonville brand OF acetylcholine chloride | HMDB | | Iolab brand OF acetylcholine chloride | HMDB | | Alcon brand OF acetylcholine chloride | HMDB | | Ciba vision brand OF acetylcholine chloride | HMDB | | Acetylcholine | MeSH, HMDB |
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| Chemical Formula | C7H16NO2 |
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| Average Molecular Weight | 146.2074 |
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| Monoisotopic Molecular Weight | 146.118103761 |
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| IUPAC Name | [2-(acetyloxy)ethyl]trimethylazanium |
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| Traditional Name | acetylcholine |
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| CAS Registry Number | 51-84-3 |
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| SMILES | CC(=O)OCC[N+](C)(C)C |
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| InChI Identifier | InChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1 |
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| InChI Key | OIPILFWXSMYKGL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | Belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH. |
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| Kingdom | Organic compounds |
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| Super Class | Organic nitrogen compounds |
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| Class | Organonitrogen compounds |
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| Sub Class | Quaternary ammonium salts |
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| Direct Parent | Acyl cholines |
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| Alternative Parents | |
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| Substituents | - Acyl choline
- Tetraalkylammonium salt
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxygen compound
- Organopnictogen compound
- Organic oxide
- Hydrocarbon derivative
- Organic salt
- Organooxygen compound
- Carbonyl group
- Amine
- Organic cation
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | |
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| Ontology |
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| Physiological effect | Not Available |
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| Disposition | |
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| Process | |
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| Role | |
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| Physical Properties |
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| State | Solid |
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| Experimental Molecular Properties | | Property | Value | Reference |
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| Melting Point | 148 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | Not Available | Not Available | | LogP | Not Available | Not Available |
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| Experimental Chromatographic Properties | Experimental Collision Cross Sections| Adduct Type | Data Source | CCS Value (Å2) | Reference |
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| [M+H]+ | MetCCS_train_pos | 129.677 | 30932474 |
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| Predicted Molecular Properties | | Show more...
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| Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatized | Show more...
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| Spectra |
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| GC-MS Spectra| Spectrum Type | Description | Splash Key | Deposition Date | Source | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - Acetylcholine GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a4r-9100000000-bf8d3f373f038db1a310 | 2017-08-28 | Wishart Lab | View Spectrum | | Predicted GC-MS | Predicted GC-MS Spectrum - Acetylcholine 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 |
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| Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-000j-9600000000-ec60451904fda7dde556 | 2012-07-24 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-000l-9000000000-2ea4c086c3ab458a1d7c | 2012-07-24 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-0006-9000000000-98d5a70eed75a0945da4 | 2012-07-24 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ (API3000, Applied Biosystems) 10V, Positive-QTOF | splash10-0002-1900000000-2da10e016ac539b6e981 | 2012-08-31 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ (API3000, Applied Biosystems) 20V, Positive-QTOF | splash10-000i-9000000000-7efaaa08a6c43d816358 | 2012-08-31 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ (API3000, Applied Biosystems) 30V, Positive-QTOF | splash10-000i-9000000000-eb7d66198d7674cbbd2a | 2012-08-31 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ (API3000, Applied Biosystems) 40V, Positive-QTOF | splash10-000l-9000000000-41b87d773c58129802e9 | 2012-08-31 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ (API3000, Applied Biosystems) 50V, Positive-QTOF | splash10-0006-9000000000-9e8e66250f2cf34a2046 | 2012-08-31 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , Positive-QTOF | splash10-0002-0900000000-f7fe18f2371596dc7333 | 2012-08-31 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, Positive-QTOF | splash10-000j-9800000000-b0f987ebcb0179a2c5ab | 2012-08-31 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QTOF , positive-QTOF | splash10-000i-9000000000-1be58612df9c1eef1282 | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ , positive-QTOF | splash10-0002-1900000000-2da10e016ac539b6e981 | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ , positive-QTOF | splash10-000i-9000000000-7efaaa08a6c43d816358 | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ , positive-QTOF | splash10-000i-9000000000-eb7d66198d7674cbbd2a | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ , positive-QTOF | splash10-000l-9000000000-41b87d773c58129802e9 | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QQ , positive-QTOF | splash10-0006-9000000000-9ac44e29bdfbddf1b90d | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QTOF , positive-QTOF | splash10-0002-0900000000-f7fe18f2371596dc7333 | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine LC-ESI-QTOF , positive-QTOF | splash10-000j-9800000000-b0f987ebcb0179a2c5ab | 2017-09-14 | HMDB team, MONA | View Spectrum | | Experimental LC-MS/MS | LC-MS/MS Spectrum - Acetylcholine , positive-QTOF | splash10-000j-9400000000-8a3a0b77e93715b85ed4 | 2017-09-14 | HMDB team, MONA | View Spectrum |
NMR Spectra| Spectrum Type | Description | Deposition Date | Source | View |
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| Experimental 1D NMR | 1H NMR Spectrum (1D, 500 MHz, H2O, experimental) | 2012-12-04 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-29 | Wishart Lab | View Spectrum | | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2012-12-05 | Wishart Lab | View Spectrum |
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| Biological Properties |
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| Cellular Locations | - Cytoplasm
- Extracellular
- Nucleus
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| Biospecimen Locations | - Cerebrospinal Fluid (CSF)
- Saliva
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| Tissue Locations | - Adipose Tissue
- Adrenal Medulla
- Bladder
- Brain
- Epidermis
- Fibroblasts
- Intestine
- Kidney
- Lung
- Neuron
- Pancreas
- Placenta
- Platelet
- Prostate
- Skeletal Muscle
- Spleen
- Testis
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| Pathways | |
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| Normal Concentrations |
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| Cerebrospinal Fluid (CSF) | Detected and Quantified | 0.034 +/- 0.009 uM | Adult (>18 years old) | Not Specified | Normal | | details | | Saliva | Detected and Quantified | 8.56 +/- 5.19 uM | Adult (>18 years old) | Both | Normal | | details |
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| Abnormal Concentrations |
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| Cerebrospinal Fluid (CSF) | Detected and Quantified | 0.01 +/- 0.005 uM | Adult (>18 years old) | Not Specified | Alzheimer's disease | | details | | Cerebrospinal Fluid (CSF) | Detected and Quantified | 0.016 +/- 0.007 uM | Adult (>18 years old) | Not Specified | Vascular dementia | | details |
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| Associated Disorders and Diseases |
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| Disease References | | Alzheimer's disease |
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- Jia JP, Jia JM, Zhou WD, Xu M, Chu CB, Yan X, Sun YX: Differential acetylcholine and choline concentrations in the cerebrospinal fluid of patients with Alzheimer's disease and vascular dementia. Chin Med J (Engl). 2004 Aug;117(8):1161-4. [PubMed:15361288 ]
| | Multi-infarct dementia |
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- Jia JP, Jia JM, Zhou WD, Xu M, Chu CB, Yan X, Sun YX: Differential acetylcholine and choline concentrations in the cerebrospinal fluid of patients with Alzheimer's disease and vascular dementia. Chin Med J (Engl). 2004 Aug;117(8):1161-4. [PubMed:15361288 ]
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| Associated OMIM IDs | |
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| External Links |
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| DrugBank ID | DB03128 |
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| Phenol Explorer Compound ID | Not Available |
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| FooDB ID | FDB012191 |
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| KNApSAcK ID | C00054040 |
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| Chemspider ID | 182 |
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| KEGG Compound ID | C01996 |
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| BioCyc ID | ACETYLCHOLINE |
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| BiGG ID | 38868 |
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| Wikipedia Link | Acetylcholine |
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| METLIN ID | 57 |
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| PubChem Compound | 187 |
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| PDB ID | Not Available |
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| ChEBI ID | 15355 |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | ACH |
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| MarkerDB ID | MDB00000277 |
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| Good Scents ID | Not Available |
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| References |
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| Synthesis Reference | Szutowicz, Andrzej. Acetylcholine synthesis in synaptosomes. Postepy Biochemii (1979), 25(1), 59-84. |
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| Material Safety Data Sheet (MSDS) | Not Available |
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| General References | - Nguyen VT, Ndoye A, Hall LL, Zia S, Arredondo J, Chernyavsky AI, Kist DA, Zelickson BD, Lawry MA, Grando SA: Programmed cell death of keratinocytes culminates in apoptotic secretion of a humectant upon secretagogue action of acetylcholine. J Cell Sci. 2001 Mar;114(Pt 6):1189-204. [PubMed:11228162 ]
- Chia S, Megson IL, Ludlam CA, Fox KA, Newby DE: Preserved endothelial vasomotion and fibrinolytic function in patients with acute stent thrombosis or in-stent restenosis. Thromb Res. 2003;111(6):343-9. [PubMed:14698651 ]
- Grando SA, Kist DA, Qi M, Dahl MV: Human keratinocytes synthesize, secrete, and degrade acetylcholine. J Invest Dermatol. 1993 Jul;101(1):32-6. [PubMed:8331294 ]
- Beilin B, Bessler H, Papismedov L, Weinstock M, Shavit Y: Continuous physostigmine combined with morphine-based patient-controlled analgesia in the postoperative period. Acta Anaesthesiol Scand. 2005 Jan;49(1):78-84. [PubMed:15675987 ]
- Tao J, Jin YF, Yang Z, Wang LC, Gao XR, Lui L, Ma H: Reduced arterial elasticity is associated with endothelial dysfunction in persons of advancing age: comparative study of noninvasive pulse wave analysis and laser Doppler blood flow measurement. Am J Hypertens. 2004 Aug;17(8):654-9. [PubMed:15288882 ]
- Jiang JL, Jiang DJ, Tang YH, Li NS, Deng HW, Li YJ: Effect of simvastatin on endothelium-dependent vaso-relaxation and endogenous nitric oxide synthase inhibitor. Acta Pharmacol Sin. 2004 Jul;25(7):893-901. [PubMed:15210062 ]
- Haug KH, Bogen IL, Osmundsen H, Walaas I, Fonnum F: Effects on cholinergic markers in rat brain and blood after short and prolonged administration of donepezil. Neurochem Res. 2005 Dec;30(12):1511-20. [PubMed:16362770 ]
- Katoh H, Shimada T, Inoue S, Takahashi N, Shimizu H, Ohta Y, Nakamura K, Murakami Y, Ishibashi Y, Matsumori A: Reduced high serum hepatocyte growth factor levels after successful cardioversion in patients with atrial fibrillation. Clin Exp Pharmacol Physiol. 2004 Mar;31(3):145-51. [PubMed:15008956 ]
- Main C, Blennerhassett P, Collins SM: Human recombinant interleukin 1 beta suppresses acetylcholine release from rat myenteric plexus. Gastroenterology. 1993 Jun;104(6):1648-54. [PubMed:8500722 ]
- Ikarashi Y, Harigaya Y, Tomidokoro Y, Kanai M, Ikeda M, Matsubara E, Kawarabayashi T, Kuribara H, Younkin SG, Maruyama Y, Shoji M: Decreased level of brain acetylcholine and memory disturbance in APPsw mice. Neurobiol Aging. 2004 Apr;25(4):483-90. [PubMed:15013569 ]
- Katz SD, Krum H: Acetylcholine-mediated vasodilation in the forearm circulation of patients with heart failure: indirect evidence for the role of endothelium-derived hyperpolarizing factor. Am J Cardiol. 2001 May 1;87(9):1089-92. [PubMed:11348607 ]
- Hanna ST, Cao K, Wang R: Interaction of acetylcholine with Kir6.1 channels heterologously expressed in human embryonic kidney cells. Eur J Pharmacol. 2005 May 16;515(1-3):34-42. [PubMed:15894309 ]
- Greig NH, Utsuki T, Ingram DK, Wang Y, Pepeu G, Scali C, Yu QS, Mamczarz J, Holloway HW, Giordano T, Chen D, Furukawa K, Sambamurti K, Brossi A, Lahiri DK: Selective butyrylcholinesterase inhibition elevates brain acetylcholine, augments learning and lowers Alzheimer beta-amyloid peptide in rodent. Proc Natl Acad Sci U S A. 2005 Nov 22;102(47):17213-8. Epub 2005 Nov 7. [PubMed:16275899 ]
- Shirahata M, Balbir A, Otsubo T, Fitzgerald RS: Role of acetylcholine in neurotransmission of the carotid body. Respir Physiol Neurobiol. 2007 Jul 1;157(1):93-105. Epub 2007 Jan 11. [PubMed:17284361 ]
- Hasselmo ME: The role of acetylcholine in learning and memory. Curr Opin Neurobiol. 2006 Dec;16(6):710-5. Epub 2006 Sep 29. [PubMed:17011181 ]
- Beane M, Marrocco RT: Norepinephrine and acetylcholine mediation of the components of reflexive attention: implications for attention deficit disorders. Prog Neurobiol. 2004 Oct;74(3):167-81. [PubMed:15556286 ]
- Mezzelani A, Landini M, Facchiano F, Raggi ME, Villa L, Molteni M, De Santis B, Brera C, Caroli AM, Milanesi L, Marabotti A: Environment, dysbiosis, immunity and sex-specific susceptibility: a translational hypothesis for regressive autism pathogenesis. Nutr Neurosci. 2015 May;18(4):145-61. doi: 10.1179/1476830513Y.0000000108. Epub 2014 Jan 21. [PubMed:24621061 ]
- Brunk E, Sahoo S, Zielinski DC, Altunkaya A, Drager A, Mih N, Gatto F, Nilsson A, Preciat Gonzalez GA, Aurich MK, Prlic A, Sastry A, Danielsdottir AD, Heinken A, Noronha A, Rose PW, Burley SK, Fleming RMT, Nielsen J, Thiele I, Palsson BO: Recon3D enables a three-dimensional view of gene variation in human metabolism. Nat Biotechnol. 2018 Mar;36(3):272-281. doi: 10.1038/nbt.4072. Epub 2018 Feb 19. [PubMed:29457794 ]
- 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 ]
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