CID 135563770

Chebi:142759

Structural Information

Molecular Formula
C27H53O11P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCO
InChI
InChI=1S/C27H53O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26(31)35-22-25(38-27(32)18-15-16-19-28)23-37-39(33,34)36-21-24(30)20-29/h24-25,28-30H,2-23H2,1H3,(H,33,34)/t24-,25+/m0/s1
InChIKey
NYOYKYOADIOTAC-LOSJGSFVSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-(5-hydroxypentanoyloxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.3325 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.33978 243.0
[M+Na]+ 607.32172 242.3
[M-H]- 583.32522 238.1
[M+NH4]+ 602.36632 246.1
[M+K]+ 623.29566 240.7
[M+H-H2O]+ 567.32976 233.0
[M+HCOO]- 629.33070 242.1
[M+CH3COO]- 643.34635 247.9
[M+Na-2H]- 605.30717 224.0
[M]+ 584.33195 240.1
[M]- 584.33305 240.1
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.