CID 91666389

N-arachidonoylphytosphingosine

Structural Information

Molecular Formula
C38H69NO4
SMILES
CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO)NC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)O)O
InChI
InChI=1S/C38H69NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-37(42)39-35(34-40)38(43)36(41)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h11,13,17-18,20-21,25,27,35-36,38,40-41,43H,3-10,12,14-16,19,22-24,26,28-34H2,1-2H3,(H,39,42)/b13-11-,18-17-,21-20-,27-25-/t35-,36+,38-/m0/s1
InChIKey
MYFWOINCQDEQRM-RGSGCEEESA-N
Compound name
(5Z,8Z,11Z,14Z)-N-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]icosa-5,8,11,14-tetraenamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

603.52264 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 604.52992 259.8
[M+Na]+ 626.51186 264.5
[M+NH4]+ 621.55646 259.8
[M+K]+ 642.48580 262.9
[M-H]- 602.51536 250.4
[M+Na-2H]- 624.49731 260.1
[M]+ 603.52209 257.7
[M]- 603.52319 257.7
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.