CID 171120277

Glccer(d16:1(4e)(15me)/24:0(23-me)(2oh)

Structural Information

Molecular Formula
C48H93NO9
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O
InChI
InChI=1S/C48H93NO9/c1-38(2)32-28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-23-27-31-35-42(52)47(56)49-40(37-57-48-46(55)45(54)44(53)43(36-50)58-48)41(51)34-30-26-22-19-15-17-21-25-29-33-39(3)4/h30,34,38-46,48,50-55H,5-29,31-33,35-37H2,1-4H3,(H,49,56)/b34-30+/t40-,41+,42?,43+,44+,45-,46+,48+/m0/s1
InChIKey
ZAUDNTUSGQNWJA-GOBHEJEKSA-N
Compound name
2-hydroxy-N-[(E,2S,3R)-3-hydroxy-15-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]-23-methyltetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

827.68506 Da
Monoisotopic Mass

14.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 828.69234 298.9
[M+Na]+ 850.67428 299.4
[M-H]- 826.67778 291.5
[M+NH4]+ 845.71888 297.7
[M+K]+ 866.64822 305.3
[M+H-H2O]+ 810.68232 296.1
[M+HCOO]- 872.68326 288.5
[M+CH3COO]- 886.69891 301.3
[M+Na-2H]- 848.65973 275.6
[M]+ 827.68451 292.8
[M]- 827.68561 292.8
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.