Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:14:08 UTC |
---|
Update date | 2019-11-26 03:17:06 UTC |
---|
Primary ID | FDB019106 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 1,4-Dideoxy-1,4-imino-D-ribitol |
---|
Description | 1,4-Dideoxy-1,4-imino-D-ribitol, also known as 2-hydroxymethyl-pyrrolidine-3,4-diol or DRIB, belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. 1,4-Dideoxy-1,4-imino-D-ribitol has been detected, but not quantified in, fruits and wax apples (Eugenia javanica). This could make 1,4-dideoxy-1,4-imino-D-ribitol a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1,4-Dideoxy-1,4-imino-D-ribitol. |
---|
CAS Number | 105990-41-8 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C5H11NO3 |
---|
IUPAC name | 2-(hydroxymethyl)pyrrolidine-3,4-diol |
---|
InChI Identifier | InChI=1S/C5H11NO3/c7-2-3-5(9)4(8)1-6-3/h3-9H,1-2H2 |
---|
InChI Key | OQEBIHBLFRADNM-UHFFFAOYSA-N |
---|
Isomeric SMILES | OCC1NCC(O)C1O |
---|
Average Molecular Weight | 133.1457 |
---|
Monoisotopic Molecular Weight | 133.073893223 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as pyrrolidines. Pyrrolidines are compounds containing a pyrrolidine ring, which is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organoheterocyclic compounds |
---|
Class | Pyrrolidines |
---|
Sub Class | Not Available |
---|
Direct Parent | Pyrrolidines |
---|
Alternative Parents | |
---|
Substituents | - Pyrrolidine
- 1,2-aminoalcohol
- Secondary alcohol
- Secondary aliphatic amine
- Secondary amine
- Azacycle
- Organopnictogen compound
- Organic oxygen compound
- Primary alcohol
- Organooxygen compound
- Organonitrogen compound
- Organic nitrogen compound
- Amine
- Alcohol
- Hydrocarbon derivative
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Route of exposure: Source: Biological location: |
---|
Role | Industrial application: Biological role: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | 1,4-Dideoxy-1,4-imino-D-ribitol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-00di-9300000000-f23c9a4f171e1152f8cd | Spectrum | Predicted GC-MS | 1,4-Dideoxy-1,4-imino-D-ribitol, 3 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0032-4291000000-b3faddd4d0656d194754 | Spectrum | Predicted GC-MS | 1,4-Dideoxy-1,4-imino-D-ribitol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 1,4-Dideoxy-1,4-imino-D-ribitol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum | Predicted GC-MS | 1,4-Dideoxy-1,4-imino-D-ribitol, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | Not Available | Spectrum |
|
---|
MS/MS | Type | Description | Splash Key | View |
---|
Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-00lr-1900000000-a3fd3276e89e0741b78b | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-00kb-9700000000-262f43f2a39279208ba9 | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-f592217fddd172b3bceb | 2015-04-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-001i-1900000000-79101bb450a92b55c707 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0w30-5900000000-131d7c9c8faad0c36439 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-a8f9f66c63509a9cc353 | 2015-04-25 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0ue9-0900000000-d7ddef4d09137dda450c | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0zgi-9500000000-571e3b76b70f4e7e07fd | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0a4l-9000000000-cd83a3c53da085536ec7 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-015a-5900000000-e3cf2bca6b9da0221bb9 | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9200000000-5d29c2463648aff0184a | 2021-09-24 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0007-9000000000-f4c4773da7b9c344047c | 2021-09-24 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | 1295 |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | 1335 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | DB03411 |
---|
HMDB ID | HMDB39499 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | CFH38-C:LPD26-Q |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | C00036384 |
---|
HET ID | Not Available |
---|
Food Biomarker Ontology | Not Available |
---|
VMH ID | Not Available |
---|
Flavornet ID | Not Available |
---|
GoodScent ID | Not Available |
---|
SuperScent ID | Not Available |
---|
Wikipedia ID | Not Available |
---|
Phenol-Explorer Metabolite ID | Not Available |
---|
Duplicate IDS | Not Available |
---|
Old DFC IDS | Not Available |
---|
Associated Foods |
---|
|
Biological Effects and Interactions |
---|
Health Effects / Bioactivities | Not Available |
---|
Enzymes | Not Available |
---|
Pathways | Not Available |
---|
Metabolism | Not Available |
---|
Biosynthesis | Not Available |
---|
Organoleptic Properties |
---|
Flavours | Not Available |
---|
Files |
---|
MSDS | Not Available |
---|
References |
---|
Synthesis Reference | Not Available |
---|
General Reference | Not Available |
---|
Content Reference | — Shinbo, Y., et al. 'KNApSAcK: a comprehensive species-metabolite relationship database.' Plant Metabolomics. Springer Berlin Heidelberg, 2006. 165-181.
|
---|