Glycolithocholic acid 3-sulfate
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Glycolithocholic acid 3-sulfate
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CAS No:
15324-64-8
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Formula:
C26H43NO7S
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Chemical Name:
Glycolithocholic acid 3-sulfate
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Synonyms:
Glycine,N-[(3α,5β)-24-oxo-3-(sulfooxy)cholan-24-yl]-;Glycine,N-(3α-hydroxy-5β-cholan-24-oyl)-,hydrogen sulfate (ester);Cholane,glycine deriv.;N-[(3α,5β)-24-Oxo-3-(sulfooxy)cholan-24-yl]glycine;3α-Hydroxy-5β-cholanoylglycine 3-sulfate;Glycolithocholic acid 3-sulfate;Sulfolithocholylglycine;Glycolithocholic acid sulfate;Sulfoglycolithocholic acid;Glycolithocholic acid 3α-sulfate;118208-81-4
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CAS No:
Description
Solid
Sulfoglycolithocholic acid is the 3-O-sulfo derivative of glycolithocholic acid. It is a steroid sulfate and a bile acid glycine conjugate. It derives from a glycolithocholic acid. It is a conjugate acid of a sulfoglycolithocholate(2-) and a sulfoglycolithocholate anion.
Characteristics
138 Ų
215.6 Ų [M-H]- [CCS Type: DT, Method: single field calibrated]|199 Ų [M-SO3-H]- [CCS Type: DT, Method: single field calibrated]|200.1 Ų [M-SO3-H2O-H]- [CCS Type: DT, Method: single field calibrated]|209 Ų [M-SO3-H2O+H]+ [CCS Type: DT, Method: single field calibrated]
Computed Properties
Molecular Weight:513.7
XLogP3:5.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:513.27602388
Monoisotopic Mass:513.27602388
Topological Polar Surface Area:138
Heavy Atom Count:35
Complexity:917
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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