CID 53481406

Galactosylceramide (d18:1/14:0)

Structural Information

Molecular Formula
C38H73NO8
SMILES
CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C38H73NO8/c1-3-5-7-9-11-13-15-16-18-19-21-23-25-27-32(41)31(30-46-38-37(45)36(44)35(43)33(29-40)47-38)39-34(42)28-26-24-22-20-17-14-12-10-8-6-4-2/h25,27,31-33,35-38,40-41,43-45H,3-24,26,28-30H2,1-2H3,(H,39,42)/b27-25-/t31?,32?,33-,35+,36+,37-,38-/m1/s1
InChIKey
BDGGMKFFYWPIFU-RVGPXRCNSA-N
Compound name
N-[(Z)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

671.5336 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 672.540876 270.4
[M+Na]+ 694.522818 272.6
[M-H]- 670.526324 262.3
[M+NH4]+ 689.567423 266.2
[M+K]+ 710.496758 272.8
[M+H-H2O]+ 654.530860 267.9
[M+HCOO]- 716.531801 272.8
[M+CH3COO]- 730.547451 272.5
[M+Na-2H]- 692.508266 249.7
[M]+ 671.53305142 263.5
[M]- 671.53414858 263.5
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.