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
2
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]+ 672.54088 270.4
[M+Na]+ 694.52282 272.6
[M-H]- 670.52632 262.3
[M+NH4]+ 689.56742 266.2
[M+K]+ 710.49676 272.8
[M+H-H2O]+ 654.53086 267.9
[M+HCOO]- 716.53180 272.8
[M+CH3COO]- 730.54745 272.5
[M+Na-2H]- 692.50827 249.7
[M]+ 671.53305 263.5
[M]- 671.53415 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.