Deoxycholic acid-2,2,4,4-d₄

Name: Deoxycholic acid-2,2,4,4-d<SUB>4</SUB>
Brand: ALDRICH

≥98 atom % D, ≥98% (CP)

Synonym(s):

3a,12a-Dihydroxy-5ß-cholanic acid-2,2,4,4-d₄, 7-Deoxycholic acid,-2,2,4,4-d₄, Desoxycholic acid-2,2,4,4-d₄

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About This Item

Empirical Formula (Hill Notation):

C₂₄D₄H₃₆O₄

CAS Number:

112076-61-6

Molecular Weight:

396.60

MDL number:

MFCD00209707

UNSPSC Code:

51113400

PubChem Substance ID:

329759483

Note: This product can be packaged on demand. For information on pricing, availability and packaging of custom sizes, please contact Stable Isotopes Customer Service

Key Documents

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isotopic purity

≥98 atom % D

assay

≥98% (CP)

form

solid

technique(s)

mass spectrometry (MS): suitable

mp

171-174 °C

mass shift

M+4

SMILES string

[H][C@@]12[C@]([C@](CC([2H])([2H])[C@@H](O)C3([2H])[2H])(C)[C@]3([H])CC2)([H])C[C@H](O)[C@@]4(C)[C@@]1([H])CC[C@]4([H])[C@]([H])(C)CCC(O)=O

InChI

1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,12D2

InChI key

KXGVEGMKQFWNSR-FCSCGBJGSA-N

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Chemistry & Biochemicals

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This Item	614149	685119	739723
Sigma-Aldrich 614130 Deoxycholic acid-2,2,4,4-d₄	Sigma-Aldrich 614149 Cholic acid-2,2,4,4-d₄	Sigma-Aldrich 685119 Deoxycholic acid-24-¹³C	Sigma-Aldrich 739723 Glycocholic-2,2,4,4-d₄ acid
mass shift M+4	mass shift M+4	mass shift M+1	mass shift M+4
isotopic purity ≥98 atom % D	isotopic purity 98 atom % D	isotopic purity 99 atom % ¹³C	isotopic purity 98 atom % D
technique(s) mass spectrometry (MS): suitable	technique(s) mass spectrometry (MS): suitable	technique(s) mass spectrometry (MS): suitable	technique(s) mass spectrometry (MS): suitable
assay ≥98% (CP)	assay 98% (CP)	assay 98% (CP)	assay 98% (CP)
form solid	form solid	form powder	form powder
mp 171-174 °C	mp 200-201 °C (lit.)	mp 171-174 °C	mp 165-168 °C (lit.)

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.

pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Identification and quantification of oxo-bile acids in human faeces with liquid chromatography-mass spectrometry: A potent tool for human gut acidic sterolbiome studies.

P Franco et al.

Journal of chromatography. A, 1585, 70-81 (2018-11-30)

Bile acids (BAs) are endogenous steroids involved in the transport of lipids in bile, acting also as molecular signaling hormones. Primary BAs synthesized in the liver undergo several metabolic pathways in the intestine by gut microbiota to produce secondary BAs.

Determination of free and conjugated bile acids in serum of Apoe(-/-) mice fed different lingonberry fractions by UHPLC-MS.

Tannaz Ghaffarzadegan et al.

Scientific reports, 9(1), 3800-3800 (2019-03-09)

Bile acids (BAs) are known to be involved in cholesterol metabolism but interactions between the diet, BA profiles, gut microbiota and lipid metabolism have not been extensively explored. In the present study, primary and secondary BAs including their glycine and

Persistent Organic Pollutants Modify Gut Microbiota-Host Metabolic Homeostasis in Mice Through Aryl Hydrocarbon Receptor Activation.

Limin Zhang et al.

Environmental health perspectives, 123(7), 679-688 (2015-03-15)

Alteration of the gut microbiota through diet and environmental contaminants may disturb physiological homeostasis, leading to various diseases including obesity and type 2 diabetes. Because most exposure to environmentally persistent organic pollutants (POPs) occurs through the diet, the host gastrointestinal

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Deoxycholic acid-2,2,4,4-d₄