CID 155802537

Lpi(0:0/16:0)

Structural Information

Molecular Formula
C25H49O12P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O
InChI
InChI=1S/C25H49O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)36-18(16-26)17-35-38(33,34)37-25-23(31)21(29)20(28)22(30)24(25)32/h18,20-26,28-32H,2-17H2,1H3,(H,33,34)/t18-,20?,21-,22+,23-,24-,25?/m1/s1
InChIKey
NUDRHGDMWNFXMD-IESLQMLBSA-N
Compound name
[(2R)-1-hydroxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

572.29614 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.30342 234.9
[M+Na]+ 595.28536 230.2
[M-H]- 571.28886 229.6
[M+NH4]+ 590.32996 229.4
[M+K]+ 611.25930 226.7
[M+H-H2O]+ 555.29340 220.9
[M+HCOO]- 617.29434 240.3
[M+CH3COO]- 631.30999 243.9
[M+Na-2H]- 593.27081 213.2
[M]+ 572.29559 227.5
[M]- 572.29669 227.5
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.