CID 70679056

15-methylhexadecasphinganine 1-phosphate(1-)

Structural Information

Molecular Formula
C17H38NO5P
SMILES
CC(C)CCCCCCCCCCC[C@H]([C@H](COP(=O)(O)O)N)O
InChI
InChI=1S/C17H38NO5P/c1-15(2)12-10-8-6-4-3-5-7-9-11-13-17(19)16(18)14-23-24(20,21)22/h15-17,19H,3-14,18H2,1-2H3,(H2,20,21,22)/t16-,17+/m0/s1
InChIKey
NWNOHXIGPZLKDY-DLBZAZTESA-N
Compound name
[(2S,3R)-2-amino-3-hydroxy-15-methylhexadecyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.24875 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.25603 194.3
[M+Na]+ 390.23797 195.8
[M+NH4]+ 385.28257 199.5
[M+K]+ 406.21191 196.8
[M-H]- 366.24147 191.4
[M+Na-2H]- 388.22342 189.3
[M]+ 367.24820 191.8
[M]- 367.24930 191.8
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

No patent data available for this compound.