CID 6321363

C26 glccer

Structural Information

Molecular Formula
C50H97NO8
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C50H97NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-46(54)51-43(42-58-50-49(57)48(56)47(55)45(41-52)59-50)44(53)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h37,39,43-45,47-50,52-53,55-57H,3-36,38,40-42H2,1-2H3,(H,51,54)/b39-37+/t43-,44+,45+,47+,48?,49?,50+/m0/s1
InChIKey
DOIOUJPHIXRQFM-YNFHLPPXSA-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]hexacosanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

4
Patents

839.72144 Da
Monoisotopic Mass

16.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 840.728716 308.0
[M+Na]+ 862.710658 308.3
[M-H]- 838.714164 295.5
[M+NH4]+ 857.755263 303.7
[M+K]+ 878.684598 313.4
[M+H-H2O]+ 822.718700 304.4
[M+HCOO]- 884.719641 305.8
[M+CH3COO]- 898.735291 304.1
[M+Na-2H]- 860.696106 282.8
[M]+ 839.72089142 302.0
[M]- 839.72198858 302.0
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.