| Record Information |
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| Version | 1.0 |
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| Creation date | 2011-09-21 01:39:33 UTC |
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| Update date | 2015-07-21 06:59:25 UTC |
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| Primary ID | FDB028422 |
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| Secondary Accession Numbers | Not Available |
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| Chemical Information |
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| FooDB Name | Dihydroxyacetone phosphate acyl ester |
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| Description | 1-acylglycerone 3-phosphate is found in the glycerophospholipid metabolism and ether lipid metabolism pathways.
In the glycerophospholipid metabolism pathway, 1-acylglycerone 3-phosphate is created from glycerone phosphate, a reaction catalyzed by glyceronephosphate O-acyltransferase [EC:2.3.1.42]. 1-acylglycerone 3-phosphate is then converted to 1-acyl-sn-3-glycercol-phosphate or enters ether lipid metabolism. The conversion to 1-acyl-sn-3-glycercol-phosphate is catalyzed by 1-acylglycerone phosphate reductase [EC:1.1.1.101].
Within the ether lipid metabolism pathway, 1-acylglycerone 3-phosphate is converted to 1-alkyl-glycerone-3-phosphate through the action of alkyldihydroxyacetonephosphate synthase [EC:2.5.1.26]. [HMDB] |
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| CAS Number | Not Available |
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| Structure | |
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| Synonyms | | Synonym | Source |
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| Dihydroxyacetone phosphoric acid acyl ester | Generator | | 1-Acyl-glycerone 3-phosphate | HMDB | | 1-Acylglycerone 3-phosphate | HMDB | | 1-Acylglycerone 3-phosphates | HMDB | | Acylglycerone phosphate | HMDB | | [3-(Formyloxy)-2-oxopropoxy]phosphonate | Generator, HMDB | | 1-Acyl-glycerone 3-ate | HMDB | | 1-acyl-glycerone 3-phosphate | hmdb | | 1-Acylglycerone 3-ate | HMDB | | 1-Acylglycerone 3-ates | HMDB | | 1-acylglycerone 3-phosphate | hmdb | | 1-acylglycerone 3-phosphates | hmdb | | Acylglycerone ate | HMDB |
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| Predicted Properties | |
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| Chemical Formula | C4H7O7P |
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| IUPAC name | [3-(formyloxy)-2-oxopropoxy]phosphonic acid |
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| InChI Identifier | InChI=1S/C4H7O7P/c5-3-10-1-4(6)2-11-12(7,8)9/h3H,1-2H2,(H2,7,8,9) |
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| InChI Key | IWFZHMQFZRLGDQ-UHFFFAOYSA-N |
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| Isomeric SMILES | OP(O)(=O)OCC(=O)COC=O |
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| Average Molecular Weight | 198.0679 |
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| Monoisotopic Molecular Weight | 197.99293909 |
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| Classification |
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| Description | Belongs to the class of organic compounds known as o-acylglycerone-phosphates. These are glycerone-3-phosphates carrying an acyl substituent at the 1-position. |
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| Kingdom | Organic compounds |
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| Super Class | Organic oxygen compounds |
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| Class | Organooxygen compounds |
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| Sub Class | Carbonyl compounds |
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| Direct Parent | O-acylglycerone-phosphates |
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| Alternative Parents | |
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| Substituents | - O-acylglycerone-phosphate
- Monosaccharide phosphate
- Alpha-acyloxy ketone
- Monoalkyl phosphate
- Alkyl phosphate
- Phosphoric acid ester
- Organic phosphoric acid derivative
- Monosaccharide
- Carboxylic acid ester
- Monocarboxylic acid or derivatives
- Carboxylic acid derivative
- Organic oxide
- Hydrocarbon derivative
- Aliphatic acyclic compound
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| Molecular Framework | Aliphatic acyclic compounds |
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| External Descriptors | Not Available |
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| Ontology |
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| Disposition | Biological location: Source: |
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| Physico-Chemical Properties |
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| Physico-Chemical Properties - Experimental | | Property | Value | Reference |
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| Physical state | Solid | |
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| Physical Description | Not Available | |
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| Mass Composition | Not Available | |
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| Melting Point | Not Available | |
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| Boiling Point | Not Available | |
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| Experimental Water Solubility | Not Available | |
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| Experimental logP | Not Available | |
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| Experimental pKa | Not Available | |
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| Isoelectric point | Not Available | |
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| Charge | Not Available | |
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| Optical Rotation | Not Available | |
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| Spectroscopic UV Data | Not Available | |
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| Density | Not Available | |
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| Refractive Index | Not Available | |
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| Spectra |
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| Spectra | |
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| EI-MS/GC-MS | | Type | Description | Splash Key | View |
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| Predicted GC-MS | Dihydroxyacetone phosphate acyl ester, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-01ot-9400000000-a4c629b2425c0a3d5261 | Spectrum | | Predicted GC-MS | Dihydroxyacetone phosphate acyl ester, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
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| MS/MS | | Type | Description | Splash Key | View |
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| Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-0900000000-bb19454b2c14cffa3566 | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-001s-3900000000-5db91e654ecce58c783f | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-01p6-9400000000-2f718dd8682c4d2a9d2a | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-002b-4900000000-8b1348546e57144d285a | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-004i-9200000000-828668cbcb574c69b008 | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-1ab49b82139665921c4b | 2016-09-12 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-1900000000-4351f40f807cf7fe2fbc | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0059-9700000000-da29d6bc2198dae0dca8 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-004i-9000000000-a5e502a2627af2048a1f | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0900000000-31ddf570fb180659d827 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0f89-9700000000-999ce69e965fa50aba96 | 2021-09-22 | View Spectrum | | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9000000000-b4d7fda62150ac79ba0d | 2021-09-22 | View Spectrum |
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| NMR | Not Available |
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| External Links |
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| ChemSpider ID | 5256726 |
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| ChEMBL ID | Not Available |
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| KEGG Compound ID | C03372 |
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| Pubchem Compound ID | 6857386 |
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| Pubchem Substance ID | Not Available |
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| ChEBI ID | 15835 |
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| Phenol-Explorer ID | Not Available |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB11750 |
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| CRC / DFC (Dictionary of Food Compounds) ID | Not Available |
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| EAFUS ID | Not Available |
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| Dr. Duke ID | Not Available |
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| BIGG ID | Not Available |
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| KNApSAcK ID | Not Available |
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| HET ID | Not Available |
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| Food Biomarker Ontology | Not Available |
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| VMH ID | Not Available |
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| Flavornet ID | Not Available |
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| GoodScent ID | Not Available |
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| SuperScent ID | Not Available |
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| Wikipedia ID | Not Available |
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| Phenol-Explorer Metabolite ID | Not Available |
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| Duplicate IDS | Not Available |
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| Old DFC IDS | Not Available |
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| Associated Foods |
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| Food | Content Range | Average | Reference |
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| Food | | | Reference |
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| Biological Effects and Interactions |
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| Health Effects / Bioactivities | Not Available |
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| Enzymes | | Name | Gene Name | UniProt ID |
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| Dihydroxyacetone phosphate acyltransferase | GNPAT | O15228 |
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| Pathways | Not Available |
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| Metabolism | Not Available |
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| Biosynthesis | Not Available |
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| Organoleptic Properties |
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| Flavours | Not Available |
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| Files |
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| MSDS | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| General Reference | Not Available |
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| Content Reference | |
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