PubChemLite - Glccer(d18:1/24:0) (C48H93NO8)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1C(C([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCCCCC)O

InChI

InChI=1S/C48H93NO8/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/h35,37,41-43,45-48,50-51,53-55H,3-34,36,38-40H2,1-2H3,(H,49,52)/b37-35+/t41-,42+,43+,45+,46?,47?,48+/m0/s1

InChIKey

POQRWMRXUOPCLD-AAAFHMTMSA-N

Compound name

N-[(E,2S,3R)-3-hydroxy-1-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]tetracosanamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	812.69738	301.5
[M+Na]+	834.67932	302.2
[M+NH4]+	829.72392	298.4
[M+K]+	850.65326	302.7
[M-H]-	810.68282	289.1
[M+Na-2H]-	832.66477	297.2
[M]+	811.68955	298.0
[M]-	811.69065	298.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

812.69738

301.5

[M+Na]+

834.67932

302.2

[M+NH4]+

829.72392

298.4

[M+K]+

850.65326

302.7

[M-H]-

810.68282

289.1

[M+Na-2H]-

832.66477

297.2

[M]+

811.68955

298.0

[M]-

811.69065

298.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Glccer(d18:1/24:0)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe