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Chemical structure of Phosphoenolpyruvic acid tricyclohexylammonium salt

GC38307

Phosphoenolpyruvic acid tricyclohexylammonium salt

Also known as tris(cyclohexanamine);2-phosphonooxyprop-2-enoic acid

Phosphoenolpyruvic acid tricyclohexylammonium salt is a glycolysis metabolite with a high-energy phosphate group, penetrates the cell membrane and exhibits cytoprotective and anti-oxidative activity

ChemicalCAS35556-70-8MW465.56FormulaC21H44N3O6P
CAS number
35556-70-8
Molecular weight
465.56
Formula
C21H44N3O6P
Solubility
H2O ： 100 mg/mL (214·80 mM; Need ultrasonic); DMSO ： < 1 mg/mL (insoluble or slightly soluble)
InChIKey
MJKYGUXBFYGLLM-UHFFFAOYSA-N
Catalogue number
GC38307
Brand
GLPBIO
Computed properties PubChem CID 11754241 · TPSA 182 Ų · H-bond donors 6 · H-bond acceptors 9
TPSA
182 Ų
H-bond donors
6
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
31

SMILES C=C(C(=O)O)OP(=O)(O)O.C1CCC(CC1)N.C1CCC(CC1)N.C1CCC(CC1)N

Computed descriptors from PubChem (CID 11754241), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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