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Chemical structure of 3-sucCA

GC73820

3-sucCA

Also known as (4R)-4-[(3R,5R,7R,8R,9S,10S,12R,13R,14S,17R)-3-(3-carboxypropanoyloxy)-7,12-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]pentanoic acid

3-sucCA (3-Succinylated cholic acid) is a microbial derived bile acid

ChemicalCAS94159-47-4MW508.64FormulaC28H44O8
CAS number
94159-47-4
Molecular weight
508.64
Formula
C28H44O8
Solubility
DMSO ： 175 mg/mL (344·05 mM; Need ultrasonic)
InChIKey
HCNXRYWFDFDKOR-LVLJDNOQSA-N
Catalogue number
GC73820
Brand
GLPBIO
Computed properties PubChem CID 44150293 · XLogP 3.6 · TPSA 141 Ų · H-bond donors 4
XLogP
3.6
TPSA
141 Ų
H-bond donors
4
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
36

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

Computed descriptors from PubChem (CID 44150293), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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