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Merck
CN

337609

Glycocholic acid-(glycyl-1-13C) monohydrate

99 atom % 13C

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About This Item

Empirical Formula (Hill Notation):
13CC25H43NO6 · H2O
CAS Number:
64431-95-4
Molecular Weight:
484.63
UNSPSC Code:
12352202
PubChem Substance ID:
24860489
MDL number:
MFCD00167404
Isotopic purity:
99 atom % 13C
Mass shift:
M+1
Form:
powder

Key Documents

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InChI

1S/C26H43NO6.H2O/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);1H2/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-;/m1./s1/i23+1;

SMILES string

O.C[C@H](CCC(=O)NC[13C](O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

InChI key

WDKPRHOCWKLQPK-TXDHSPGBSA-N

isotopic purity

99 atom % 13C

form

powder

technique(s)

mass spectrometry (MS): suitable

mp

135-140 °C (lit.)

mass shift

M+1

Quality Level

200

Related Categories

Application

Substrate used for 13CO2 breath tests in ileal dysfunction diagnosis.

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Storage Class

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
MBBD2011
058F3755

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G W Hepner
Gastroenterology, 68(1), 8-16 (1975-01-01)
Deconjugation of bile salts was assessed by measuring the rate of appearance of 14-CO2 in the breath after the administration of cholyl [1-14-C]glycine to patients with ileal dysfunction (ileitis or ileal resection), cholesterol cholelithiasis with or without cholecystectomy, and control
Ximena Mora-Cubillos et al.
Molecular nutrition & food research, 59(12), 2480-2490 (2015-09-29)
To identify the most discriminant dietary biomarkers of nuts exposure in subjects with metabolic syndrome (MetS), and investigate the potential association between exposure and the severity of the MetS diagnostic traits. We applied the untargeted LC-ESI-qToF-MS-driven metabolomic workflow to explore

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