PubChemLite - 1,2-dioleoyl-3-beta-d-galactosyl-sn-glycerol (C45H82O10)

Structural Information

Molecular Formula

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)CCCCCCC/C=C\CCCCCCCC

InChI

InChI=1S/C45H82O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38-39,42-46,49-51H,3-16,21-37H2,1-2H3/b19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1

InChIKey

FYKCSQSTKDUTFT-KMILUJHCSA-N

Compound name

[(2S)-2-[(Z)-octadec-9-enoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (Z)-octadec-9-enoate

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]+	783.59808	291.6
[M+Na]+	805.58002	290.1
[M+NH4]+	800.62462	289.6
[M+K]+	821.55396	291.4
[M-H]-	781.58352	279.9
[M+Na-2H]-	803.56547	288.2
[M]+	782.59025	288.2
[M]-	782.59135	288.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

783.59808

291.6

[M+Na]+

805.58002

290.1

[M+NH4]+

800.62462

289.6

[M+K]+

821.55396

291.4

[M-H]-

781.58352

279.9

[M+Na-2H]-

803.56547

288.2

[M]+

782.59025

288.2

[M]-

782.59135

288.2

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

1,2-dioleoyl-3-beta-d-galactosyl-sn-glycerol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe