CID 20057279

Galabiosylceramide (d18:1/26:1(17z))

Structural Information

Molecular Formula
C56H105NO13
SMILES
CCCCCCCCCCCCC/C=C\C(C(CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)O)O)NC(=O)CCCCCCCCCCCCCCC/C=C\CCCCCCCC)O
InChI
InChI=1S/C56H105NO13/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-48(61)57-44(45(60)39-37-35-33-31-29-27-16-14-12-10-8-6-4-2)43-67-55-53(66)51(64)54(47(42-59)69-55)70-56-52(65)50(63)49(62)46(41-58)68-56/h17-18,37,39,44-47,49-56,58-60,62-66H,3-16,19-36,38,40-43H2,1-2H3,(H,57,61)/b18-17-,39-37-/t44?,45?,46-,47-,49+,50+,51-,52-,53-,54+,55-,56-/m1/s1
InChIKey
ZUFRMROYCSRBIP-SBLSQNJZSA-N
Compound name
(Z)-N-[(Z)-1-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3-hydroxyoctadec-4-en-2-yl]hexacos-17-enamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

999.7586 Da
Monoisotopic Mass

13.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1000.7659 326.3
[M+Na]+ 1022.7478 324.5
[M+NH4]+ 1017.7924 320.4
[M+K]+ 1038.7218 327.0
[M-H]- 998.75132 316.6
[M+Na-2H]- 1020.7333 320.2
[M]+ 999.75805 323.0
[M]- 999.75915 323.0
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.