Record Information |
---|
Version | 5.0 |
---|
Status | Detected and Quantified |
---|
Creation Date | 2005-11-16 15:48:42 UTC |
---|
Update Date | 2023-02-21 17:14:58 UTC |
---|
HMDB ID | HMDB0000568 |
---|
Secondary Accession Numbers | |
---|
Metabolite Identification |
---|
Common Name | D-Arabitol |
---|
Description | D-Arabitol is a polyol. Polyols are sugar alcohols linked to the pentose phosphate pathway (PPP). They are classified on the basis of the number of carbon atoms. Polyols occur in body fluids. A patient with leukoencephalopathy and peripheral neuropathy has been identified as suffering from ribose-5-phosphate isomerase (RPI) deficiency, a defect in the PPP. In this disorder, highly elevated concentrations of the C5 polyols such as D-arabitol are found in body fluids. In addition, transaldolase deficiency, another defect in the PPP, has been diagnosed in a patient with mainly liver problems among others. This patient had increased concentrations of polyols, mainly D-arabitol. So far, the pathophysiological role of polyols is relatively unknown. It is thought that D-arabitol is a metabolic end-product in humans. The strong brain-CSF-plasma gradient of polyols in the patient with RPI deficiency suggested a primary metabolic disorder. The mechanisms of brain and neuronal damage in RPI deficiency remain to be elucidated. A neurotoxic effect due to the accumulation of the polyols may play a role. D-Arabitol is a product of the enzyme D-arabinitol 4-dehydrogenase (EC 1.1.1.11) in the pentose and glucuronate interconversion pathway (PMID: 16435225 , J Inherit Metab Dis. 2005;28(6):1181-3). D-Arabitol has also been found to be a fungal metabolite, urinary D-Arabinitol is a marker for invasive candidiasis or infection by Candida fungal species (PMID: 15183861 ; PMID: 10647119 ). It can also a metabolite in Debaryomyces, Pichia and Zygosaccharomyces (PMID: 25809659 ). |
---|
Structure | OC[C@@H](O)C(O)[C@H](O)CO InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1 |
---|
Synonyms | Value | Source |
---|
D-Arabinol | ChEBI | D-Lyxitol | ChEBI | D-Arabinitol | Kegg | Arabitol, (D)-isomer | HMDB | Arabitol | HMDB | D-(+)-Arabitol | HMDB | (+--)-Arabitol | HMDB | DL-Arabitol | HMDB | Arabino-pentitol | HMDB | Lyxitol | HMDB | D-Arabitol | ChEBI |
|
---|
Chemical Formula | C5H12O5 |
---|
Average Molecular Weight | 152.1458 |
---|
Monoisotopic Molecular Weight | 152.068473494 |
---|
IUPAC Name | (2R,4R)-pentane-1,2,3,4,5-pentol |
---|
Traditional Name | arabitol |
---|
CAS Registry Number | 488-82-4 |
---|
SMILES | OC[C@@H](O)C(O)[C@H](O)CO |
---|
InChI Identifier | InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4-/m1/s1 |
---|
InChI Key | HEBKCHPVOIAQTA-QWWZWVQMSA-N |
---|
Chemical Taxonomy |
---|
Description | Belongs to the class of organic compounds known as sugar alcohols. These are hydrogenated forms of carbohydrate in which the carbonyl group (aldehyde or ketone, reducing sugar) has been reduced to a primary or secondary hydroxyl group. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | Sugar alcohols |
---|
Alternative Parents | |
---|
Substituents | - Sugar alcohol
- Monosaccharide
- Secondary alcohol
- Polyol
- Hydrocarbon derivative
- Primary alcohol
- Alcohol
- Aliphatic acyclic compound
|
---|
Molecular Framework | Aliphatic acyclic compounds |
---|
External Descriptors | |
---|
Ontology |
---|
Physiological effect | Not Available |
---|
Disposition | |
---|
Process | Not Available |
---|
Role | |
---|
Physical Properties |
---|
State | Solid |
---|
Experimental Molecular Properties | |
---|
Experimental Chromatographic Properties | Not Available |
---|
Predicted Molecular Properties | |
---|
Predicted Chromatographic Properties | Predicted Collision Cross SectionsPredicted Kovats Retention IndicesUnderivatizedDerivatizedDerivative Name / Structure | SMILES | Kovats RI Value | Column Type | Reference |
---|
D-Arabitol,1TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO | 1571.6 | Semi standard non polar | 33892256 | D-Arabitol,1TMS,isomer #2 | C[Si](C)(C)O[C@H](CO)C(O)[C@H](O)CO | 1551.1 | Semi standard non polar | 33892256 | D-Arabitol,1TMS,isomer #3 | C[Si](C)(C)OC([C@H](O)CO)[C@H](O)CO | 1516.8 | Semi standard non polar | 33892256 | D-Arabitol,2TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O)[C@H](O)CO | 1598.5 | Semi standard non polar | 33892256 | D-Arabitol,2TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@H](O)CO | 1580.3 | Semi standard non polar | 33892256 | D-Arabitol,2TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO)O[Si](C)(C)C | 1626.9 | Semi standard non polar | 33892256 | D-Arabitol,2TMS,isomer #4 | C[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO[Si](C)(C)C | 1622.6 | Semi standard non polar | 33892256 | D-Arabitol,2TMS,isomer #5 | C[Si](C)(C)OC([C@H](O)CO)[C@@H](CO)O[Si](C)(C)C | 1581.5 | Semi standard non polar | 33892256 | D-Arabitol,2TMS,isomer #6 | C[Si](C)(C)O[C@H](CO)C(O)[C@@H](CO)O[Si](C)(C)C | 1606.4 | Semi standard non polar | 33892256 | D-Arabitol,3TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@H](O)CO | 1653.6 | Semi standard non polar | 33892256 | D-Arabitol,3TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O)[C@@H](CO)O[Si](C)(C)C | 1665.4 | Semi standard non polar | 33892256 | D-Arabitol,3TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C | 1676.7 | Semi standard non polar | 33892256 | D-Arabitol,3TMS,isomer #4 | C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C | 1668.8 | Semi standard non polar | 33892256 | D-Arabitol,3TMS,isomer #5 | C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C | 1684.5 | Semi standard non polar | 33892256 | D-Arabitol,3TMS,isomer #6 | C[Si](C)(C)OC([C@@H](CO)O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C | 1662.6 | Semi standard non polar | 33892256 | D-Arabitol,4TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C | 1687.4 | Semi standard non polar | 33892256 | D-Arabitol,4TMS,isomer #2 | C[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C | 1704.8 | Semi standard non polar | 33892256 | D-Arabitol,4TMS,isomer #3 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C | 1705.2 | Semi standard non polar | 33892256 | D-Arabitol,5TMS,isomer #1 | C[Si](C)(C)OC[C@@H](O[Si](C)(C)C)C(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C | 1735.0 | Semi standard non polar | 33892256 | D-Arabitol,1TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO | 1817.5 | Semi standard non polar | 33892256 | D-Arabitol,1TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)O[C@H](CO)C(O)[C@H](O)CO | 1786.0 | Semi standard non polar | 33892256 | D-Arabitol,1TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC([C@H](O)CO)[C@H](O)CO | 1766.1 | Semi standard non polar | 33892256 | D-Arabitol,2TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)[C@H](O)CO | 2048.5 | Semi standard non polar | 33892256 | D-Arabitol,2TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@H](O)CO | 2034.9 | Semi standard non polar | 33892256 | D-Arabitol,2TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2065.5 | Semi standard non polar | 33892256 | D-Arabitol,2TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@H](O)CO[Si](C)(C)C(C)(C)C | 2073.9 | Semi standard non polar | 33892256 | D-Arabitol,2TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC([C@H](O)CO)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2032.6 | Semi standard non polar | 33892256 | D-Arabitol,2TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)O[C@H](CO)C(O)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2041.7 | Semi standard non polar | 33892256 | D-Arabitol,3TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@H](O)CO | 2294.6 | Semi standard non polar | 33892256 | D-Arabitol,3TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2311.7 | Semi standard non polar | 33892256 | D-Arabitol,3TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2316.7 | Semi standard non polar | 33892256 | D-Arabitol,3TBDMS,isomer #4 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2323.5 | Semi standard non polar | 33892256 | D-Arabitol,3TBDMS,isomer #5 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C | 2340.2 | Semi standard non polar | 33892256 | D-Arabitol,3TBDMS,isomer #6 | CC(C)(C)[Si](C)(C)OC([C@@H](CO)O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2312.5 | Semi standard non polar | 33892256 | D-Arabitol,4TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C | 2536.7 | Semi standard non polar | 33892256 | D-Arabitol,4TBDMS,isomer #2 | CC(C)(C)[Si](C)(C)OC[C@@H](O)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2555.7 | Semi standard non polar | 33892256 | D-Arabitol,4TBDMS,isomer #3 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2546.1 | Semi standard non polar | 33892256 | D-Arabitol,5TBDMS,isomer #1 | CC(C)(C)[Si](C)(C)OC[C@@H](O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C | 2745.8 | Semi standard non polar | 33892256 |
|
---|
| GC-MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental GC-MS | GC-MS Spectrum - D-Arabitol GC-MS (5 TMS) | splash10-0gb9-0982000000-4e5007f03273cea8b23e | 2014-06-16 | HMDB team, MONA, MassBank | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_2_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_4) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_5) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_3_6) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_4_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_4_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_4_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TMS_5_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_1_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_1_2) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_1_3) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | Predicted GC-MS | Predicted GC-MS Spectrum - D-Arabitol GC-MS (TBDMS_2_1) - 70eV, Positive | Not Available | 2021-11-05 | Wishart Lab | View Spectrum | MS | Mass Spectrum (Electron Ionization) | splash10-01vo-9000000000-f065454e8412613f8ecd | 2018-05-25 | Not Available | View Spectrum |
MS/MS SpectraSpectrum Type | Description | Splash Key | Deposition Date | Source | View |
---|
Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Quattro_QQQ 10V, Positive-QTOF (Annotated) | splash10-01ba-9500000000-67233150807800e941f0 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Quattro_QQQ 25V, Positive-QTOF (Annotated) | splash10-01b9-9000000000-1ff17a8b87bbab9a3622 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Quattro_QQQ 40V, Positive-QTOF (Annotated) | splash10-044i-9000000000-e0e330c8a899be718f60 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , negative-QTOF | splash10-00m0-2900000000-c6b1101b88fa522fabd0 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol , negative-QTOF | splash10-0zmr-9500000000-164d598431954fc1aeae | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol , negative-QTOF | splash10-0uki-9600000000-b90e9cee04cd0631b599 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF | splash10-00e9-2900000000-75413a29e8c6b3d9a6a1 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF | splash10-0udi-0900000000-c5cc931b9156365c4ca7 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF | splash10-0a5a-0900000000-94cf956e3f47a633d572 | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol Linear Ion Trap , positive-QTOF | splash10-03k9-0900000000-f0634d5b1d1f523b3caa | 2018-05-25 | HMDB team, MONA | View Spectrum | Experimental LC-MS/MS | LC-MS/MS Spectrum - D-Arabitol 35V, Negative-QTOF | splash10-00do-9000000000-564c4ccf05ac119a3ac2 | 2021-09-20 | HMDB team, MONA | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Positive-QTOF | splash10-0udi-1900000000-4f856d537cc8252ecc47 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Positive-QTOF | splash10-03di-9300000000-403bacad5117a30582df | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Positive-QTOF | splash10-03dl-9000000000-eb879b27e7b182cfe7c0 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Negative-QTOF | splash10-0udu-9400000000-3db6454ab3e2315aa744 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Negative-QTOF | splash10-0btl-9200000000-b84c400427c7e44eb4dd | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Negative-QTOF | splash10-0a4l-9000000000-c37624fb31a8cb33b163 | 2016-08-03 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Positive-QTOF | splash10-014i-4900000000-d02566d106f64f56452d | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Positive-QTOF | splash10-01ox-9000000000-94760e1883352d4864b5 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Positive-QTOF | splash10-0007-9000000000-a22bb5556fa857db4c5c | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 10V, Negative-QTOF | splash10-0zmr-9500000000-1887747b16d168b09609 | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 20V, Negative-QTOF | splash10-0a4i-9000000000-83f8fb1c321a951b0e7e | 2021-09-22 | Wishart Lab | View Spectrum | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - D-Arabitol 40V, Negative-QTOF | splash10-0a4l-9000000000-ad178d7c96ba63131c18 | 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) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 100 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 200 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 300 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 400 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 500 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 600 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 700 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 800 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 900 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 13C NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Predicted 1D NMR | 1H NMR Spectrum (1D, 1000 MHz, D2O, predicted) | 2021-09-16 | Wishart Lab | View Spectrum | Experimental 2D NMR | [1H, 13C]-HSQC NMR Spectrum (2D, 600 MHz, H2O, experimental) | 2018-05-25 | Wishart Lab | View Spectrum |
IR SpectraSpectrum Type | Description | Deposition Date | Source | View |
---|
Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+) | 2023-02-03 | FELIX lab | View Spectrum | Predicted IR Spectrum | IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+) | 2023-02-03 | FELIX lab | View Spectrum |
|
---|
Disease References | Ribose-5-phosphate isomerase deficiency |
---|
- Huck JH, Verhoeven NM, Struys EA, Salomons GS, Jakobs C, van der Knaap MS: Ribose-5-phosphate isomerase deficiency: new inborn error in the pentose phosphate pathway associated with a slowly progressive leukoencephalopathy. Am J Hum Genet. 2004 Apr;74(4):745-51. Epub 2004 Feb 25. [PubMed:14988808 ]
| Invasive candidiasis |
---|
- Kiehn TE, Bernard EM, Gold JW, Armstrong D: Candidiasis: detection by gas-liquid chromatography of D-arabinitol, a fungal metabolite, in human serum. Science. 1979 Nov 2;206(4418):577-80. [PubMed:493963 ]
| Colorectal cancer |
---|
- 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 ]
| Eosinophilic esophagitis |
---|
- Slae, M., Huynh, H., Wishart, D.S. (2014). Analysis of 30 normal pediatric urine samples via NMR spectroscopy (unpublished work). NA.
|
|
---|
General References | - Kiehn TE, Bernard EM, Gold JW, Armstrong D: Candidiasis: detection by gas-liquid chromatography of D-arabinitol, a fungal metabolite, in human serum. Science. 1979 Nov 2;206(4418):577-80. [PubMed:493963 ]
- Klusmann A, Fleischer W, Waldhaus A, Siebler M, Mayatepek E: Influence of D-arabitol and ribitol on neuronal network activity. J Inherit Metab Dis. 2005;28(6):1181-3. [PubMed:16435225 ]
- Hui M, Cheung SW, Chin ML, Chu KC, Chan RC, Cheng AF: Development and application of a rapid diagnostic method for invasive Candidiasis by the detection of D-/L-arabinitol using gas chromatography/mass spectrometry. Diagn Microbiol Infect Dis. 2004 Jun;49(2):117-23. doi: 10.1016/j.diagmicrobio.2004.02.006. [PubMed:15183861 ]
- Christensson B, Sigmundsdottir G, Larsson L: D-arabinitol--a marker for invasive candidiasis. Med Mycol. 1999 Dec;37(6):391-6. [PubMed:10647119 ]
- Kordowska-Wiater M: Production of arabitol by yeasts: current status and future prospects. J Appl Microbiol. 2015 Aug;119(2):303-14. doi: 10.1111/jam.12807. Epub 2015 Apr 8. [PubMed:25809659 ]
- 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 ]
|
---|