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SGPL1 fluorogenic substrate

CAT: 0931-T87385-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T87385-01Size:10 mg
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CAS Number
1166838-84-1
Target
Others
Related Pathways
Others
Bioactivity
SGPL1 fluorogenic substrate is a fluorogenic substrate of sphingosine-1-phosphate lyase (SGPL1) used to measure SGPL1 activity [1].
Smiles
O(CC[C@H]([C@H](COP(=O)(O)O)N)O)C=1C=C2C(=CC1)C=CC(=O)O2
Molecular Formula
C14H18NO8P
Molecular Weight
359.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

S1P Lyase Fluorogenic Substrate
CAS Number1166838-84-1
PubChem CID127043479
IUPAC Name[(2S,3R)-2-amino-3-hydroxy-5-(2-oxochromen-7-yl)oxypentyl] dihydrogen phosphate
Molecular FormulaC14H18NO8P
Molecular Weight359.27
XLogP-3.3
Topological Polar Surface Area149
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count24
Formal Charge0
Complexity507
SMILES
C1=CC(=CC2=C1C=CC(=O)O2)OCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C14H18NO8P/c15-11(8-22-24(18,19)20)12(16)5-6-21-10-3-1-9-2-4-14(17)23-13(9)7-10/h1-4,7,11-12,16H,5-6,8,15H2,(H2,18,19,20)/t11-,12+/m0/s1
InChIKey
XHAKPJBOPPIZOR-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of S1P Lyase Fluorogenic Substrate
CAS: 1166838-84-1
CID: 127043479
Formula: C14H18NO8P
MW: 359.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.27
XLogP3-3.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass359.07700353
Monoisotopic Mass359.07700353
Topological Polar Surface Area149 Ų
Heavy Atom Count24
Formal Charge0
Complexity507
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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