CID 476602

N-stearoyl-o-(2-acetylamino-2-deoxy-.beta.-d-glucopyranosyl)-l-serine myristylamide

Structural Information

Molecular Formula
C43H83N3O8
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H](C([C@H](O1)CO)O)O)NC(=O)C)C(=O)NCCCCCCCCCCCCCC
InChI
InChI=1S/C43H83N3O8/c1-4-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-38(49)46-36(34-53-43-39(45-35(3)48)41(51)40(50)37(33-47)54-43)42(52)44-32-30-28-26-24-22-17-15-13-11-9-7-5-2/h36-37,39-41,43,47,50-51H,4-34H2,1-3H3,(H,44,52)(H,45,48)(H,46,49)/t36-,37+,39+,40?,41+,43+/m0/s1
InChIKey
NJMPRDGOZCKKIM-ZDZAXZEGSA-N
Compound name
N-[(2S)-3-[(2R,3R,4R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxo-1-(tetradecylamino)propan-2-yl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

769.61804 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 770.62532 295.4
[M+Na]+ 792.60726 301.9
[M-H]- 768.61076 292.9
[M+NH4]+ 787.65186 295.7
[M+K]+ 808.58120 302.1
[M+H-H2O]+ 752.61530 293.4
[M+HCOO]- 814.61624 293.5
[M+CH3COO]- 828.63189 300.4
[M+Na-2H]- 790.59271 274.6
[M]+ 769.61749 286.8
[M]- 769.61859 286.8
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.