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SMB00966

Sigma-Aldrich

2-Furoylglycine

≥98%

Synonym(s):

N-(2-Furoyl)glycine, 2-(2-Furoylamino)acetic acid, N(2)-Furoyl-glycine, N-(2-Furanylcarbonyl)glycine, N-2-Furoylglycine

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About This Item

Empirical Formula (Hill Notation):
C7H7NO4
CAS Number:
5657-19-2
Molecular Weight:
169.13
MDL number:
MFCD00030606
UNSPSC Code:
12352209
NACRES:
NA.77

biological source

synthetic

Quality Level

200

grade

research grade

Assay

≥98%

form

powder or crystals

technique(s)

HPLC: suitable

color

white to off-white

mp

163-165 °C (lit.)

storage temp.

2-8°C

SMILES string

OC(=O)CNC(=O)c1ccco1

InChI

1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)

InChI key

KSPQDMRTZZYQLM-UHFFFAOYSA-N

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General description

N-2-furoylglycine (N2FG) is a metabolite of furfural, furoic acid and furfuryl alcohol. Furfural is found in many foods, including coffee (55–255 mg/kg) and whole grain bread (26 mg/kg). Produced by gut bacteria-mediated metabolism, N2FG is being studied as a potential marker for diet habits (e.g coffee consumption) and diseases (e.g. various cancers and kidney disease).

Application

Metabolomics research, nutrition research

Other Notes

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000163887
0000230486
0000110360

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Deepak Bhandari et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1126-1127, 121746-121746 (2019-08-28)
We report on the development of an ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method for simultaneously measuring eight biomarkers of volatile organic compound (VOC) exposure, with potential application to e-cigarette aerosol biomonitoring. Phenylmercapturic acid (PMA) and trans, trans-muconic acid (tt-MA)
Silke S Heinzmann et al.
Journal of agricultural and food chemistry, 63(38), 8615-8621 (2015-09-12)
Specific and sensitive food biomarkers are necessary to support dietary intake assessment and link nutritional habits to potential impact on human health. A multistep nutritional intervention study was conducted to suggest novel biomarkers for coffee consumption. (1)H NMR metabolic profiling
The identification and metabolic origin of 2-furoylglycine and 2,5-furandicarboxylic acid in human urine.
J E Pettersen et al.
Clinica chimica acta; international journal of clinical chemistry, 41, 199-207 (1972-10-01)

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