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Chemical structure of Glycodehydrocholic Acid

GC47410

Glycodehydrocholic Acid

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

A glycine-conjugated form of dehydrocholic acid

ChemicalCAS3415-45-0MW459.6FormulaC26H37NO6
CAS number
3415-45-0
Molecular weight
459.6
Formula
C26H37NO6
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,Ethanol： 2 mg/ml,PBS (pH 7·2)： 1 mg/ml
InChIKey
ZDPYMJNWJWJTAF-HHELISEZSA-N
Catalogue number
GC47410
Brand
GLPBIO
Computed properties PubChem CID 13955640 · XLogP 1.9 · TPSA 118 Ų · H-bond donors 2
XLogP
1.9
TPSA
118 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

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

Computed descriptors from PubChem (CID 13955640), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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