CID 71668360

1-palmitoyl-2-lauroyl-sn-glycero-3-phospho-1d-myo-inositol(1-)

Structural Information

Molecular Formula
C37H71O13P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCCCCCC
InChI
InChI=1S/C37H71O13P/c1-3-5-7-9-11-13-14-15-16-18-19-21-23-25-30(38)47-27-29(49-31(39)26-24-22-20-17-12-10-8-6-4-2)28-48-51(45,46)50-37-35(43)33(41)32(40)34(42)36(37)44/h29,32-37,40-44H,3-28H2,1-2H3,(H,45,46)/t29-,32?,33-,34+,35-,36-,37?/m1/s1
InChIKey
OOIYGIBLKJXABS-QMQOCPPKSA-N
Compound name
[(2R)-2-dodecanoyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

754.46326 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 755.47054 278.6
[M+Na]+ 777.45248 275.8
[M+NH4]+ 772.49708 279.4
[M+K]+ 793.42642 276.6
[M-H]- 753.45598 270.8
[M+Na-2H]- 775.43793 276.8
[M]+ 754.46271 276.0
[M]- 754.46381 276.0
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.