CID 86290086

N-(2-hydroxyhexanoyl)-beta-d-galactosylsphinganine

Structural Information

Molecular Formula
C30H59NO9
SMILES
CCCCCCCCCCCCCCC[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)C(CCCC)O)O
InChI
InChI=1S/C30H59NO9/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23(33)22(31-29(38)24(34)18-6-4-2)21-39-30-28(37)27(36)26(35)25(20-32)40-30/h22-28,30,32-37H,3-21H2,1-2H3,(H,31,38)/t22-,23+,24?,25+,26-,27-,28+,30+/m0/s1
InChIKey
BJZNHNFMFBYHQS-RGKFGAROSA-N
Compound name
2-hydroxy-N-[(2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadecan-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

577.419 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 578.42628 249.7
[M+Na]+ 600.40822 251.3
[M+NH4]+ 595.45282 247.9
[M+K]+ 616.38216 248.7
[M-H]- 576.41172 244.4
[M+Na-2H]- 598.39367 250.8
[M]+ 577.41845 247.7
[M]- 577.41955 247.7
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.