CID 131708359

Chebi:138662

Structural Information

Molecular Formula
C40H78NO10P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C40H78NO10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(44)49-33-36(42)34-50-52(47,48)51-35-37(40(45)46)41-38(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h36-37,42H,3-35H2,1-2H3,(H,41,43)(H,45,46)(H,47,48)/t36-,37+/m1/s1
InChIKey
ADVRBBXWUTVFNX-AARKOHAPSA-N
Compound name
(2S)-2-(hexadecanoylamino)-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

763.5363 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 764.54358 284.4
[M+Na]+ 786.52552 286.8
[M+NH4]+ 781.57012 290.7
[M+K]+ 802.49946 287.9
[M-H]- 762.52902 278.1
[M+Na-2H]- 784.51097 284.2
[M]+ 763.53575 284.0
[M]- 763.53685 284.0
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.