Structure Database (LMSD)
Common Name
C17 Sphingosine-1-phosphate
Systematic Name
heptadecasphing-4-enine-1-phosphate
Synonyms
- (2S,3R,4E)-2-aminoheptadec-4-ene-1,3-diol-1-phosphate
LM ID
LMSP01050007
Formula
Exact Mass
Calculate m/z
365.233112
Sum Composition
Status
Active
3D model of C17 Sphingosine-1-phosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
VITGNIYTXHNNNE-LHMZYYNSSA-N
InChi (Click to copy)
InChI=1S/C17H36NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h13-14,16-17,19H,2-12,15,18H2,1H3,(H2,20,21,22)/b14-13+/t16-,17+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(N)[C@]([H])(O)/C=C/CCCCCCCCCCCC)(=O)(O)O
References
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
16
Van der Waals Molecular Volume
374.80
Topological Polar Surface Area
113.01
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
4.85
Molar Refractivity
98.82
Admin
Created at
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Updated at
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