CID 172879911

Chebi:233166

Structural Information

Molecular Formula
C32H60NO17P
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)OC[C@@H](CO)OC=O)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)N)O)O)O
InChI
InChI=1S/C32H60NO17P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(37)48-29-27(41)26(40)28(42)30(49-32-23(33)25(39)24(38)21(17-35)47-32)31(29)50-51(43,44)46-18-20(16-34)45-19-36/h19-21,23-32,34-35,38-42H,2-18,33H2,1H3,(H,43,44)/t20-,21-,23-,24-,25-,26-,27-,28+,29-,30-,31-,32-/m1/s1
InChIKey
VUGVMMAJYGCSEX-WBZDUNCISA-N
Compound name
[(1R,2S,3R,4S,5S,6R)-3-[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[[(2R)-2-formyloxy-3-hydroxypropoxy]-hydroxyphosphoryl]oxy-4,5,6-trihydroxycyclohexyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

761.35986 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.367136 255.0
[M+Na]+ 784.349078 255.1
[M-H]- 760.352584 251.2
[M+NH4]+ 779.393683 254.2
[M+K]+ 800.323018 249.7
[M+H-H2O]+ 744.357120 242.2
[M+HCOO]- 806.358061 255.8
[M+CH3COO]- 820.373711 284.4
[M+Na-2H]- 782.334526 277.8
[M]+ 761.35931142 250.9
[M]- 761.36040858 250.9
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.