Record Information |
---|
Version | 5.0 |
---|
Status | Expected but not Quantified |
---|
Creation Date | 2012-09-11 23:48:39 UTC |
---|
Update Date | 2023-02-21 17:26:37 UTC |
---|
HMDB ID | HMDB0038491 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | L-Altruronic acid |
---|
Description | L-Altruronic acid, also known as L-altruronate, belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. Based on a literature review very few articles have been published on L-Altruronic acid. |
---|
Structure | O[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4+,6+/m0/s1 |
---|
Synonyms | Value | Source |
---|
L-Altruronate | Generator | (2R,3R,4S,5R,6R)-3,4,5,6-Tetrahydroxyoxane-2-carboxylate | HMDB |
|
---|
Chemical Formula | C6H10O7 |
---|
Average Molecular Weight | 194.1394 |
---|
Monoisotopic Molecular Weight | 194.042652674 |
---|
IUPAC Name | (2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
---|
Traditional Name | (2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid |
---|
CAS Registry Number | 39737-41-2 |
---|
SMILES | O[C@@H]1O[C@H]([C@H](O)[C@H](O)[C@H]1O)C(O)=O |
---|
InChI Identifier | InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4+,6+/m0/s1 |
---|
InChI Key | AEMOLEFTQBMNLQ-ODNOERHMSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as glucuronic acid derivatives. Glucuronic acid derivatives are compounds containing a glucuronic acid moiety (or a derivative), which consists of a glucose moiety with the C6 carbon oxidized to a carboxylic acid. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Glucuronic acid derivatives |
---|
Alternative Parents | |
---|
Substituents | - Glucuronic acid or derivatives
- Beta-hydroxy acid
- Hydroxy acid
- Pyran
- Monosaccharide
- Oxane
- Hemiacetal
- Secondary alcohol
- Carboxylic acid derivative
- Carboxylic acid
- Oxacycle
- Organoheterocyclic compound
- Monocarboxylic acid or derivatives
- Polyol
- Hydrocarbon derivative
- Organic oxide
- Carbonyl group
- Alcohol
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
Not Available | Not Available |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | Property | Value | Reference |
---|
Melting Point | 124 - 127 °C | Not Available | Boiling Point | Not Available | Not Available | Water Solubility | Not Available | Not Available | LogP | Not Available | Not Available |
|
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | | Show more...
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
L-Altruronic acid,1TMS,isomer #1 | C[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O | 1797.8 | Semi standard non polar | 33892256 | L-Altruronic acid,1TMS,isomer #2 | C[Si](C)(C)O[C@H]1[C@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]1O | 1778.3 | Semi standard non polar | 33892256 | L-Altruronic acid,1TMS,isomer #3 | C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C(=O)O)O[C@@H](O)[C@@H]1O | 1807.7 | Semi standard non polar | 33892256 | L-Altruronic acid,1TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](C(=O)O)O[C@H]1O | 1824.2 | Semi standard non polar | 33892256 | L-Altruronic acid,1TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | 1746.2 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O | 1769.0 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O | 1787.6 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #2 | C[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O | 1800.3 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #3 | C[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O | 1813.2 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #4 | C[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 1810.9 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C | 1770.4 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #6 | C[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O[Si](C)(C)C)[C@H](C(=O)O)O[C@H]1O | 1806.9 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #7 | C[Si](C)(C)O[C@H]1[C@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C | 1785.4 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #8 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O | 1791.7 | Semi standard non polar | 33892256 | L-Altruronic acid,2TMS,isomer #9 | C[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C(=O)O)O[C@@H](O)[C@@H]1O[Si](C)(C)C | 1803.1 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O | 1782.0 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #10 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O | 1830.4 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O | 1839.0 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C | 1797.7 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #4 | C[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O | 1836.2 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #5 | C[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C | 1837.9 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #6 | C[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 1838.6 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #7 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C | 1851.8 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #8 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 1784.2 | Semi standard non polar | 33892256 | L-Altruronic acid,3TMS,isomer #9 | C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O)O[C@H]1C(=O)O | 1836.6 | Semi standard non polar | 33892256 | L-Altruronic acid,4TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O | 1936.0 | Semi standard non polar | 33892256 | L-Altruronic acid,4TMS,isomer #2 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C | 1936.9 | Semi standard non polar | 33892256 | L-Altruronic acid,4TMS,isomer #3 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 1945.8 | Semi standard non polar | 33892256 | L-Altruronic acid,4TMS,isomer #4 | C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@H]1C(=O)O | 1907.3 | Semi standard non polar | 33892256 | L-Altruronic acid,4TMS,isomer #5 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 1939.8 | Semi standard non polar | 33892256 | L-Altruronic acid,5TMS,isomer #1 | C[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C | 1993.4 | Semi standard non polar | 33892256 | L-Altruronic acid,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O | 2060.7 | Semi standard non polar | 33892256 | L-Altruronic acid,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]1O | 2045.4 | Semi standard non polar | 33892256 | L-Altruronic acid,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C(=O)O)O[C@@H](O)[C@@H]1O | 2074.1 | Semi standard non polar | 33892256 | L-Altruronic acid,1TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](C(=O)O)O[C@H]1O | 2091.6 | Semi standard non polar | 33892256 | L-Altruronic acid,1TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O | 2021.5 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O | 2263.2 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O | 2291.1 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O | 2264.5 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 2286.8 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2272.7 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2273.9 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C(=O)O)O[C@H]1O | 2283.3 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)O[C@H]1[C@H](C(=O)O)O[C@@H](O)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2264.7 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 2294.2 | Semi standard non polar | 33892256 | L-Altruronic acid,2TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O)[C@H](C(=O)O)O[C@@H](O)[C@@H]1O[Si](C)(C)C(C)(C)C | 2293.5 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O | 2524.3 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #10 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 2538.4 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 2522.3 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2526.3 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 2493.9 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2511.3 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)O[C@@H]1O[C@@H](C(=O)O)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 2509.5 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #7 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2548.6 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #8 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 2515.1 | Semi standard non polar | 33892256 | L-Altruronic acid,3TBDMS,isomer #9 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)O[C@H]1C(=O)O | 2506.0 | Semi standard non polar | 33892256 | L-Altruronic acid,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O | 2745.8 | Semi standard non polar | 33892256 | L-Altruronic acid,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C | 2747.0 | Semi standard non polar | 33892256 | L-Altruronic acid,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 2736.1 | Semi standard non polar | 33892256 | L-Altruronic acid,4TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)O[C@H]1C(=O)O | 2747.8 | Semi standard non polar | 33892256 | L-Altruronic acid,4TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 2765.1 | Semi standard non polar | 33892256 | L-Altruronic acid,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC(=O)[C@@H]1O[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C | 2964.0 | Semi standard non polar | 33892256 |
| Show more...
---|
Spectra |
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted GC-MS | Predicted GC-MS Spectrum - L-Altruronic acid GC-MS (Non-derivatized) - 70eV, Positive | splash10-0a6s-5900000000-4145d7dbe91803d8047f | 2017-09-01 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Altruronic acid GC-MS (5 TMS) - 70eV, Positive | splash10-000l-6242950000-7b610ed98440b47c2a32 | 2017-10-06 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - L-Altruronic acid GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 10V, Positive-QTOF | splash10-002b-0900000000-142e51c19f7b152d18e6 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 20V, Positive-QTOF | splash10-056s-1900000000-80978d6e9cf43c2a99ae | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 40V, Positive-QTOF | splash10-0a4r-9400000000-fe9d58fcfd8f4880243e | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 10V, Negative-QTOF | splash10-0007-2900000000-eecfa94a9428872c9b56 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 20V, Negative-QTOF | splash10-000w-4900000000-c10f02b5bf83d62924f0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 40V, Negative-QTOF | splash10-052f-9200000000-21b195d29543b18b8595 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 10V, Positive-QTOF | splash10-0002-0900000000-2877a7e6d3ecd32cf172 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 20V, Positive-QTOF | splash10-000b-7900000000-d748e59637b495442c9e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 40V, Positive-QTOF | splash10-03dl-9100000000-40ac961f184de816ed86 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 10V, Negative-QTOF | splash10-0006-3900000000-64f3d0eb26f7bc8ca624 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 20V, Negative-QTOF | splash10-0a73-9300000000-329488f791f643b1c308 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - L-Altruronic acid 40V, Negative-QTOF | splash10-0a4l-9000000000-474e82a5911096bc3b39 | 2021-09-22 | Wishart Lab | View Spectrum |
NMR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted 1D NMR | 13C NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-24 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-04 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-04 | FELIX lab | View Spectrum |
| Show more...
---|
Biological Properties |
---|
Cellular Locations | Not Available |
---|
Biospecimen Locations | Not Available |
---|
Tissue Locations | Not Available |
---|
Pathways | |
---|
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 | FDB017863 |
---|
KNApSAcK ID | Not Available |
---|
Chemspider ID | 30777259 |
---|
KEGG Compound ID | Not Available |
---|
BioCyc ID | Not Available |
---|
BiGG ID | Not Available |
---|
Wikipedia Link | Not Available |
---|
METLIN ID | Not Available |
---|
PubChem Compound | 25011741 |
---|
PDB ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
MarkerDB ID | Not Available |
---|
Good Scents ID | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
Material Safety Data Sheet (MSDS) | Not Available |
---|
General References | - (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
---|