Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:13:21 UTC |
---|
Update date | 2015-07-21 06:23:44 UTC |
---|
Primary ID | FDB017866 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | N-(1-Deoxy-1-fructosyl)proline |
---|
Description | N-(1-Deoxy-1-fructosyl)proline belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Based on a literature review very few articles have been published on N-(1-Deoxy-1-fructosyl)proline. |
---|
CAS Number | 29118-61-4 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C11H19NO7 |
---|
IUPAC name | 1-{[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}pyrrolidine-2-carboxylic acid |
---|
InChI Identifier | InChI=1S/C11H19NO7/c13-4-7-8(14)9(15)11(18,19-7)5-12-3-1-2-6(12)10(16)17/h6-9,13-15,18H,1-5H2,(H,16,17)/t6?,7-,8-,9+,11?/m1/s1 |
---|
InChI Key | GSFRYAKUDPPHHG-MKSMHYHASA-N |
---|
Isomeric SMILES | OC[C@H]1OC(O)(CN2CCCC2C(O)=O)[C@@H](O)[C@@H]1O |
---|
Average Molecular Weight | 277.2711 |
---|
Monoisotopic Molecular Weight | 277.116151967 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic acids and derivatives |
---|
Class | Carboxylic acids and derivatives |
---|
Sub Class | Amino acids, peptides, and analogues |
---|
Direct Parent | Proline and derivatives |
---|
Alternative Parents | |
---|
Substituents | - Proline or derivatives
- C-glycosyl compound
- Glycosyl compound
- Alpha-amino acid
- Pentose monosaccharide
- Pyrrolidine carboxylic acid
- Pyrrolidine carboxylic acid or derivatives
- Monosaccharide
- N-alkylpyrrolidine
- Pyrrolidine
- Tetrahydrofuran
- Hemiacetal
- Amino acid
- Secondary alcohol
- Tertiary amine
- Tertiary aliphatic amine
- Organoheterocyclic compound
- Azacycle
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Polyol
- Oxacycle
- Organonitrogen compound
- Organic oxide
- Organic nitrogen compound
- Alcohol
- Organopnictogen compound
- Amine
- Organooxygen compound
- Organic oxygen compound
- Primary alcohol
- Hydrocarbon derivative
- Carbonyl group
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Disposition | Source: |
---|
Role | Biological role: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | N-(1-Deoxy-1-fructosyl)proline, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-004i-7920000000-1fe66fc9aeb19dbea053 | Spectrum | Predicted GC-MS | N-(1-Deoxy-1-fructosyl)proline, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0udi-1090011000-c3c1efb3d3cd5d39a26b | Spectrum | Predicted GC-MS | N-(1-Deoxy-1-fructosyl)proline, 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 | splash10-004i-2590000000-babc9444f79487728a01 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-004i-5970000000-1a1c5f32ea249d0356e2 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-003r-9100000000-a92e6eea420b3ccc4233 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-3590000000-62511e152890d1c6d6bd | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-03gi-5690000000-84222593dc0fee6ff2a3 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9000000000-5b742b1436150a21e08c | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-004i-0490000000-8f3857cdfe63bc054a8d | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-07gj-1950000000-cba08ebfcd68f0c9f866 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-01q9-6890000000-30c1b698ce57b00aa6c1 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-01t9-0090000000-c63a501ed852839255e0 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0059-4690000000-2e3e37a985f39f44e04a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-001i-9200000000-7ac01425b10e9d6d6be6 | 2021-09-23 | View Spectrum |
|
---|
NMR | Not Available |
---|
External Links |
---|
ChemSpider ID | Not Available |
---|
ChEMBL ID | Not Available |
---|
KEGG Compound ID | Not Available |
---|
Pubchem Compound ID | 119856 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | Not Available |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB38493 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | KDR03-I:LBM99-N |
---|
EAFUS ID | Not Available |
---|
Dr. Duke ID | Not Available |
---|
BIGG ID | Not Available |
---|
KNApSAcK ID | Not Available |
---|
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 | |
---|