CID 165415634

Galcer(d18:2/24:0)

Structural Information

Molecular Formula
C48H91NO8
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCC/C=C\CCC)O
InChI
InChI=1S/C48H91NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-44(52)49-41(40-56-48-47(55)46(54)45(53)43(39-50)57-48)42(51)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h8,10,35,37,41-43,45-48,50-51,53-55H,3-7,9,11-34,36,38-40H2,1-2H3,(H,49,52)/b10-8-,37-35+/t41-,42+,43+,45-,46?,47?,48+/m0/s1
InChIKey
HNIYHRHIGRQACZ-HNISIMCFSA-N
Compound name
N-[(2S,3R,4E,14Z)-3-hydroxy-1-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,14-dien-2-yl]tetracosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

809.67444 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.68172 299.1
[M+Na]+ 832.66366 300.3
[M-H]- 808.66716 288.1
[M+NH4]+ 827.70826 295.1
[M+K]+ 848.63760 304.1
[M+H-H2O]+ 792.67170 295.7
[M+HCOO]- 854.67264 298.5
[M+CH3COO]- 868.68829 298.1
[M+Na-2H]- 830.64911 275.2
[M]+ 809.67389 292.7
[M]- 809.67499 292.7
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.