CID 101111156

Chebi:232640

Structural Information

Molecular Formula
C34H67O10P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](COC(=O)CCCCCCCCCCCCC)O)O
InChI
InChI=1S/C34H67O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-33(37)41-27-31(35)29-43-45(39,40)44-30-32(36)28-42-34(38)26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32,35-36H,3-30H2,1-2H3,(H,39,40)/t31-,32+
InChIKey
BOZFQWKFFURSAG-MEKGRNQZSA-N
Compound name
[(2S)-2-hydroxy-3-[hydroxy-[(2R)-2-hydroxy-3-tetradecanoyloxypropoxy]phosphoryl]oxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

666.4472 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.45448 264.3
[M+Na]+ 689.43642 264.0
[M-H]- 665.43992 256.6
[M+NH4]+ 684.48102 268.9
[M+K]+ 705.41036 265.3
[M+H-H2O]+ 649.44446 254.6
[M+HCOO]- 711.44540 262.4
[M+CH3COO]- 725.46105 267.1
[M+Na-2H]- 687.42187 243.6
[M]+ 666.44665 262.6
[M]- 666.44775 262.6
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.