CID 6321359

Glccer d40:1

Structural Information

Molecular Formula
C46H89NO8
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O
InChI
InChI=1S/C46H89NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-42(50)47-39(38-54-46-45(53)44(52)43(51)41(37-48)55-46)40(49)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h33,35,39-41,43-46,48-49,51-53H,3-32,34,36-38H2,1-2H3,(H,47,50)/b35-33+/t39-,40+,41+,43+,44?,45?,46+/m0/s1
InChIKey
YIGARKIIFOHVPF-YAEABVQUSA-N
Compound name
N-[(E,2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]docosanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

173
Patents

783.6588 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 784.666076 295.8
[M+Na]+ 806.648018 296.8
[M-H]- 782.651524 284.8
[M+NH4]+ 801.692623 291.5
[M+K]+ 822.621958 300.2
[M+H-H2O]+ 766.656060 292.5
[M+HCOO]- 828.657001 295.1
[M+CH3COO]- 842.672651 293.8
[M+Na-2H]- 804.633466 272.1
[M]+ 783.65825142 289.4
[M]- 783.65934858 289.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.