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C16-Sphingosine-1-phosphate

CAT: 0024-sc-474275Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-474275Size:2.5 mg
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CAS Number
709026-60-8

Chemical Information

C16 Sphingosine-1-phosphate

Hexadecasphing-4-enine-1-phosphate is a sphingoid 1-phosphate that is hexadecasphing-4-enine substituted by a phospho group at position 1. It has a role as a mouse metabolite. It is functionally related to a hexadecasphing-4-enine.

CAS Number709026-60-8
PubChem CID52931110
IUPAC Name[(E,2S,3R)-2-amino-3-hydroxyhexadec-4-enyl] dihydrogen phosphate
Molecular FormulaC16H34NO5P
Molecular Weight351.42
XLogP0.8
Topological Polar Surface Area113
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count23
Formal Charge0
Complexity345
SMILES
CCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C16H34NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(18)15(17)14-22-23(19,20)21/h12-13,15-16,18H,2-11,14,17H2,1H3,(H2,19,20,21)/b13-12+/t15-,16+/m0/s1
InChIKey
IQHNJQKWEMCXAD-YYZTVXDQSA-N
Chemical Structure
2D Structure
2D structure of C16 Sphingosine-1-phosphate
CAS: 709026-60-8
CID: 52931110
Formula: C16H34NO5P
MW: 351.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.42
XLogP30.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass351.21746018
Monoisotopic Mass351.21746018
Topological Polar Surface Area113 Ų
Heavy Atom Count23
Formal Charge0
Complexity345
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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