PubChemLite - Dpps (C38H74NO10P)

Structural Information

Molecular Formula

SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C38H74NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)46-31-34(32-47-50(44,45)48-33-35(39)38(42)43)49-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h34-35H,3-33,39H2,1-2H3,(H,42,43)(H,44,45)/t34-,35+/m1/s1

InChIKey

KLFKZIQAIPDJCW-GPOMZPHUSA-N

Compound name

(2S)-2-amino-3-[[(2R)-2,3-di(hexadecanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid

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]+	736.51228	275.6
[M+Na]+	758.49422	278.3
[M+NH4]+	753.53882	282.5
[M+K]+	774.46816	279.3
[M-H]-	734.49772	269.9
[M+Na-2H]-	756.47967	276.3
[M]+	735.50445	275.4
[M]-	735.50555	275.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

736.51228

275.6

[M+Na]+

758.49422

278.3

[M+NH4]+

753.53882

282.5

[M+K]+

774.46816

279.3

[M-H]-

734.49772

269.9

[M+Na-2H]-

756.47967

276.3

[M]+

735.50445

275.4

[M]-

735.50555

275.4

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

Dpps

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe