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Merck
CN

SMB00966

2-Furoylglycine

research grade, ≥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

Key Documents

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biological source

synthetic

Quality Level

200

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
0000163887
0000230486

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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
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)
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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