Record Information |
---|
Version | 1.0 |
---|
Creation date | 2010-04-08 22:10:43 UTC |
---|
Update date | 2019-11-26 03:08:26 UTC |
---|
Primary ID | FDB013454 |
---|
Secondary Accession Numbers | Not Available |
---|
Chemical Information |
---|
FooDB Name | 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose |
---|
Description | 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose has been detected, but not quantified in, milk and milk products. This could make 1-[(5-amino-5-carboxypentyl)amino]-1-deoxyfructose a potential biomarker for the consumption of these foods. Based on a literature review very few articles have been published on 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose. |
---|
CAS Number | 21291-40-7 |
---|
Structure | |
---|
Synonyms | |
---|
Predicted Properties | |
---|
Chemical Formula | C12H24N2O7 |
---|
IUPAC name | 2-amino-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl}amino)hexanoic acid |
---|
InChI Identifier | InChI=1S/C12H24N2O7/c13-7(11(18)19)3-1-2-4-14-6-12(20)10(17)9(16)8(5-15)21-12/h7-10,14-17,20H,1-6,13H2,(H,18,19) |
---|
InChI Key | ZAWLGBRDVQURAK-UHFFFAOYSA-N |
---|
Isomeric SMILES | NC(CCCCNCC1(O)OC(CO)C(O)C1O)C(O)=O |
---|
Average Molecular Weight | 308.3282 |
---|
Monoisotopic Molecular Weight | 308.158351132 |
---|
Classification |
---|
Description | Belongs to the class of organic compounds known as c-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a C-glycosidic bond. |
---|
Kingdom | Organic compounds |
---|
Super Class | Organic oxygen compounds |
---|
Class | Organooxygen compounds |
---|
Sub Class | Carbohydrates and carbohydrate conjugates |
---|
Direct Parent | C-glycosyl compounds |
---|
Alternative Parents | |
---|
Substituents | - C-glycosyl compound
- Alpha-amino acid
- Alpha-amino acid or derivatives
- Pentose monosaccharide
- Medium-chain fatty acid
- Amino fatty acid
- Heterocyclic fatty acid
- Hydroxy fatty acid
- Fatty acyl
- Fatty acid
- Monosaccharide
- Tetrahydrofuran
- Amino acid or derivatives
- Amino acid
- Hemiacetal
- Secondary alcohol
- Oxacycle
- Carboxylic acid derivative
- Carboxylic acid
- Secondary aliphatic amine
- Organoheterocyclic compound
- Secondary amine
- Monocarboxylic acid or derivatives
- Polyol
- Organopnictogen compound
- Organic nitrogen compound
- Carbonyl group
- Amine
- Organic oxide
- Primary amine
- Primary aliphatic amine
- Hydrocarbon derivative
- Primary alcohol
- Organonitrogen compound
- Alcohol
- Aliphatic heteromonocyclic compound
|
---|
Molecular Framework | Aliphatic heteromonocyclic compounds |
---|
External Descriptors | Not Available |
---|
Ontology |
---|
|
Physiological effect | Health effect: |
---|
Disposition | Route of exposure: Source: Biological location: |
---|
Role | Biological role: |
---|
Physico-Chemical Properties |
---|
Physico-Chemical Properties - Experimental | |
---|
Spectra |
---|
Spectra | |
---|
EI-MS/GC-MS | Type | Description | Splash Key | View |
---|
Predicted GC-MS | 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positive | splash10-052o-9330000000-0a3b774a2099aa1841b2 | Spectrum | Predicted GC-MS | 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose, 5 TMS, Predicted GC-MS Spectrum - 70eV, Positive | splash10-0udi-3921357000-15c6c7c5a1db6a51e48e | Spectrum | Predicted GC-MS | 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose, 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 | splash10-0btc-1793000000-7d5e15faa2663e22b446 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-03ea-4590000000-b16d04d9d276a05e3ff7 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-03e9-9700000000-7c1717d0cdc5f3d13746 | 2016-08-02 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-5449000000-5d96bc69a2ef7283d4e2 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-052b-4973000000-7fa6ef2bd5ebb8d2556f | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0006-9100000000-c189fd0a336d3d4ad871 | 2016-08-03 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0abc-0094000000-d77f3d23caad13a312c0 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-053r-2982000000-9c19ee079047920ca852 | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-003r-5900000000-01fbe3f994d9a06dd7dd | 2021-09-22 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0a4i-0039000000-45b8040e84722234d782 | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0a4r-1494000000-28cab6b1988ba64e481a | 2021-09-23 | View Spectrum | Predicted MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-052g-9410000000-ecdb35da557e9f2d2748 | 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 | 123708 |
---|
Pubchem Substance ID | Not Available |
---|
ChEBI ID | 24109 |
---|
Phenol-Explorer ID | Not Available |
---|
DrugBank ID | Not Available |
---|
HMDB ID | HMDB34879 |
---|
CRC / DFC (Dictionary of Food Compounds) ID | JCO52-P:JCO52-P |
---|
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 | |
---|