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Sphinganine 1-phosphate-d7

CAT: 0804-HY-113116SSize: 1 EachDry Ice: NoHazardous: No
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Description
Sphinganine 1-phosphate-d7 is deuterium labeled Sphinganine 1-phosphate. Sphinganine 1-phosphate (D-erythro-Dihydrosphingosine 1-phosphate) is a polar sphingolipid metabolite that regulates cell migration, differentiation, survival and complex physiologic
CAS Number
2315262-23-6
UNSPSC
12352211
Target
Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Applications
COVID-19-immunoregulation
Field of Research
Cancer; Inflammation/Immunology
Solubility
10 mM in DMSO
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCCCC[C@@H](O)[C@@H](N)COP(O)(O)=O
Molecular Formula
C18H33D7NO5P
Molecular Weight
388.53
References & Citations
[1]Montserrat Serra, et al. Sphingosine 1-phosphate lyase, a key regulator of sphingosine 1-phosphate signaling and function. Adv Enzyme Regul. 2010;50 (1) :349-62.|[2]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-223.
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Sphinganine 1-phosphate-d7
CAS Number2315262-23-6
PubChem CID164516769
IUPAC Name[(2S,3R)-2-amino-16,16,17,17,18,18,18-heptadeuterio-3-hydroxyoctadecyl] dihydrogen phosphate
Molecular FormulaC18H40NO5P
Molecular Weight388.5
XLogP2.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Heavy Atom Count25
Formal Charge0
Complexity337
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])CCCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)/t17-,18+/m0/s1/i1D3,2D2,3D2
InChIKey
YHEDRJPUIRMZMP-GEZFCKIXSA-N
Chemical Structure
2D Structure
2D structure of Sphinganine 1-phosphate-d7
CAS: 2315262-23-6
CID: 164516769
Formula: C18H40NO5P
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count18
Exact Mass388.30834760
Monoisotopic Mass388.30834760
Topological Polar Surface Area113 Ų
Heavy Atom Count25
Formal Charge0
Complexity337
Isotope Atom Count7
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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