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Sigma-Aldrich

Deoxycholic acid-2,2,4,4-d4

≥98 atom % D, ≥98% (CP)

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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
Empirical Formula (Hill Notation):
C24D4H36O4
CAS Number:
112076-61-6
Molecular Weight:
396.60
MDL number:
MFCD00209707
PubChem Substance ID:
329759483

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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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.
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
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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