CID 171120298

Glc-gp(18:0/0:0)

Structural Information

Molecular Formula
C27H53O12P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O
InChI
InChI=1S/C27H53O12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(30)36-19-21(29)20-37-40(34,35)39-27-26(33)25(32)24(31)22(18-28)38-27/h21-22,24-29,31-33H,2-20H2,1H3,(H,34,35)/t21-,22-,24-,25+,26-,27+/m1/s1
InChIKey
FSUPTCJORBQYEX-VZJUQIMDSA-N
Compound name
[(2R)-2-hydroxy-3-[hydroxy-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl]oxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

600.32745 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 601.33473 240.0
[M+Na]+ 623.31667 238.1
[M-H]- 599.32017 235.5
[M+NH4]+ 618.36127 237.7
[M+K]+ 639.29061 234.7
[M+H-H2O]+ 583.32471 229.6
[M+HCOO]- 645.32565 250.1
[M+CH3COO]- 659.34130 250.3
[M+Na-2H]- 621.30212 219.2
[M]+ 600.32690 235.2
[M]- 600.32800 235.2
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.