CID 5283560

Sphingosine-1-phosphate

Structural Information

Molecular Formula
C18H38NO5P
SMILES
CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C18H38NO5P/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/h14-15,17-18,20H,2-13,16,19H2,1H3,(H2,21,22,23)/b15-14+/t17-,18+/m0/s1
InChIKey
DUYSYHSSBDVJSM-KRWOKUGFSA-N
Compound name
[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4047
References

20702
Patents

379.24875 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25603 197.7
[M+Na]+ 402.23797 199.4
[M+NH4]+ 397.28257 199.3
[M+K]+ 418.21191 198.0
[M-H]- 378.24147 191.3
[M+Na-2H]- 400.22342 192.7
[M]+ 379.24820 195.2
[M]- 379.24930 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe