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614149

Sigma-Aldrich

Cholic acid-2,2,4,4-d4

98 atom % D, 98% (CP)

Synonym(s):

3α,7α,12α-Trihydroxy-5β-cholanic acid-D4

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About This Item

Empirical Formula (Hill Notation):
C24D4H36O5
CAS Number:
116380-66-6
Molecular Weight:
412.60
MDL number:
MFCD00209701
UNSPSC Code:
12352106
PubChem Substance ID:
24882140
NACRES:
NA.12

isotopic purity

98 atom % D

Quality Level

200

Assay

98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

200-201 °C (lit.)

mass shift

M+4

SMILES string

[2H]C1([2H])C[C@]2(C)[C@H]3C[C@H](O)[C@]4(C)[C@H](CC[C@H]4[C@@H]3[C@H](O)C[C@@H]2C([2H])([2H])[C@@H]1O)[C@H](C)CCC(O)=O

InChI

1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1/i8D2,10D2

InChI key

BHQCQFFYRZLCQQ-YFEOEUIKSA-N

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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 Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MBBD3648
MBBD2300
MBBD1889
MBBC8967
MBBC2202

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Jillian R-M Brown et al.
BMC gastroenterology, 18(1), 131-131 (2018-08-30)
Alteration of the gut microbiota by repeated antibiotic treatment increases susceptibility to Clostridioides difficile infection. Faecal microbiota transplantation from donors with a normal microbiota effectively treats C. difficile infection. The study involved 10 patients with recurrent C. difficile infection, nine
Ka-Yi Man et al.
Food chemistry, 338, 127847-127847 (2020-09-19)
Beef is a common staple food in many countries, and there is a growing concern over misinformation of beef products, such as false claims of origin, species and production methods. In this study, we used a mass spectrometry-based metabolomics approach
Prue M Pereira-Fantini et al.
Journal of hepatology, 61(5), 1115-1125 (2014-07-08)
Despite the mortality associated with liver disease observed in patients with short bowel syndrome (SBS), mechanisms underlying the development of SBS-associated liver disease (SBS-ALD) are poorly understood. This study examines the impact of bacterially-mediated bile acid (BA) dysmetabolism on farnesoid
Susan A Joyce et al.
Proceedings of the National Academy of Sciences of the United States of America, 111(20), 7421-7426 (2014-05-07)
Alterations in the gastrointestinal microbiota have been implicated in obesity in mice and humans, but the key microbial functions influencing host energy metabolism and adiposity remain to be determined. Despite an increased understanding of the genetic content of the gastrointestinal
Ke Li et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 1001, 27-34 (2015-08-09)
Many fishes are hypothesized to use bile acids (BAs) as chemical cues, yet quantification of BAs in biological samples and the required methods remain limited. Here, we present an UHPLC-MS/MS method for simultaneous, sensitive, and rapid quantification of 15 BAs

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