CID 171120278

Glccer(d16:1(4e)(15me)/25:0(24me)(2oh)

Structural Information

Molecular Formula
C49H95NO9
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@@H](/C=C/CCCCCCCCCC(C)C)O)O
InChI
InChI=1S/C49H95NO9/c1-39(2)33-29-25-21-17-14-12-10-8-6-5-7-9-11-13-15-19-24-28-32-36-43(53)48(57)50-41(38-58-49-47(56)46(55)45(54)44(37-51)59-49)42(52)35-31-27-23-20-16-18-22-26-30-34-40(3)4/h31,35,39-47,49,51-56H,5-30,32-34,36-38H2,1-4H3,(H,50,57)/b35-31+/t41-,42+,43?,44+,45+,46-,47+,49+/m0/s1
InChIKey
LRKFAPPTQOQHGQ-INNSSQDSSA-N
Compound name
2-hydroxy-N-[(E,2S,3R)-3-hydroxy-15-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadec-4-en-2-yl]-24-methylpentacosanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

841.7007 Da
Monoisotopic Mass

14.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 842.70798 301.8
[M+Na]+ 864.68992 302.2
[M-H]- 840.69342 294.1
[M+NH4]+ 859.73452 300.7
[M+K]+ 880.66386 308.6
[M+H-H2O]+ 824.69796 299.0
[M+HCOO]- 886.69890 291.1
[M+CH3COO]- 900.71455 303.8
[M+Na-2H]- 862.67537 278.2
[M]+ 841.70015 295.9
[M]- 841.70125 295.9
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.