PubChemLite - 1-hexadecanoyl-2-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol) (C34H67O10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C34H67O10P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-33(37)41-29-32(30-43-45(39,40)42-28-31(36)27-35)44-34(38)26-24-22-20-17-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,39,40)/t31-,32+/m0/s1

InChIKey

JEFIPDXUAUIVAD-AJQTZOPKSA-N

Compound name

[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-dodecanoyloxypropyl] hexadecanoate

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]+	667.45448	264.3
[M+Na]+	689.43642	264.0
[M-H]-	665.43992	256.6
[M+NH4]+	684.48102	268.9
[M+K]+	705.41036	265.3
[M+H-H2O]+	649.44446	254.6
[M+HCOO]-	711.44540	262.4
[M+CH3COO]-	725.46105	267.1
[M+Na-2H]-	687.42187	243.6
[M]+	666.44665	262.6
[M]-	666.44775	262.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

667.45448

264.3

[M+Na]+

689.43642

264.0

[M-H]-

665.43992

256.6

[M+NH4]+

684.48102

268.9

[M+K]+

705.41036

265.3

[M+H-H2O]+

649.44446

254.6

[M+HCOO]-

711.44540

262.4

[M+CH3COO]-

725.46105

267.1

[M+Na-2H]-

687.42187

243.6

[M]+

666.44665

262.6

[M]-

666.44775

262.6

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

1-hexadecanoyl-2-dodecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe