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Chemical structure of Glycohyodeoxycholic Acid

GC40913

Glycohyodeoxycholic Acid

Also known as 2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

Glycohyodeoxycholic acid is a major metabolite of the secondary bile acid hyodeoxycholic acid in humans

ChemicalCAS13042-33-6MW449.6FormulaC26H43NO5
CAS number
13042-33-6
Molecular weight
449.6
Formula
C26H43NO5
Solubility
DMF: 30 mg/ml,DMF:PBS(pH 7·2)(1:1): 0·5 mg/ml,DMSO: 20 mg/ml,Ethanol: 20 mg/ml
InChIKey
SPOIYSFQOFYOFZ-BRDORRHWSA-N
Catalogue number
GC40913
Brand
GLPBIO
Computed properties PubChem CID 114611 · XLogP 4.3 · TPSA 107 Ų · H-bond donors 4
XLogP
4.3
TPSA
107 Ų
H-bond donors
4
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
32

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

Computed descriptors from PubChem (CID 114611), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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