Structure Database (LMSD)
Common Name
C17 Sphinganine-1-phosphate
Systematic Name
heptadecasphinganine-1-phosphate
Synonyms
LM ID
LMSP01050008
Formula
Exact Mass
Calculate m/z
367.248762
Sum Composition
Status
Active
3D model of C17 Sphinganine-1-phosphate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
RTCZJPCPBSBOKB-DLBZAZTESA-N
InChi (Click to copy)
InChI=1S/C17H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)16(18)15-23-24(20,21)22/h16-17,19H,2-15,18H2,1H3,(H2,20,21,22)/t16-,17+/m0/s1
SMILES (Click to copy)
P(OC[C@]([H])(N)[C@]([H])(O)CCCCCCCCCCCCCC)(=O)(O)O
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
24
Rings
0
Aromatic Rings
0
Rotatable Bonds
17
Van der Waals Molecular Volume
377.44
Topological Polar Surface Area
113.01
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
5
logP
5.07
Molar Refractivity
98.91
Admin
Created at
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Updated at
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