CID 134812398

Pob-ps

Structural Information

Molecular Formula
C26H48NO11P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCC=O
InChI
InChI=1S/C26H48NO11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-24(29)35-19-22(38-25(30)17-15-18-28)20-36-39(33,34)37-21-23(27)26(31)32/h18,22-23H,2-17,19-21,27H2,1H3,(H,31,32)(H,33,34)/t22-,23+/m1/s1
InChIKey
IMHWZIBEXZSLHP-PKTZIBPZSA-N
Compound name
(2S)-2-amino-3-[[(2R)-3-hexadecanoyloxy-2-(4-oxobutanoyloxy)propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.2965 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.30378 237.8
[M+Na]+ 604.28572 241.8
[M-H]- 580.28922 238.7
[M+NH4]+ 599.33032 245.7
[M+K]+ 620.25966 238.1
[M+H-H2O]+ 564.29376 229.5
[M+HCOO]- 626.29470 237.0
[M+CH3COO]- 640.31035 253.7
[M+Na-2H]- 602.27117 221.9
[M]+ 581.29595 234.4
[M]- 581.29705 234.4
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.