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Chemical structure of Dehydrolithocholic Acid

GC47182

Dehydrolithocholic Acid

Also known as (4R)-4-[(5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Dehydrolithocholic acid (3-Oxo-5β-cholanoic acid; 3-oxoLCA; DLA) is a bile acid metabolite that inhibits T helper cell 17 (Th17) differentiation by interacting with retinoic acid receptor associated orphan receptor (RORγt)

ChemicalCAS1553-56-6MW374.6FormulaC24H38O3
CAS number
1553-56-6
Molecular weight
374.6
Formula
C24H38O3
Solubility
DMF： 30 mg/ml,DMF：PBS (pH 7·2) (1：4)： 0·20 mg/ml,DMSO： 15 mg/ml,Ethanol： 10 mg/ml
InChIKey
KIQFUORWRVZTHT-OPTMKGCMSA-N
Catalogue number
GC47182
Brand
GLPBIO
Computed properties PubChem CID 5283906 · XLogP 5.8 · TPSA 54.4 Ų · H-bond donors 1
XLogP
5.8
TPSA
54.4 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
27

SMILES C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCC(=O)C4)C)C

Computed descriptors from PubChem (CID 5283906), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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