CID 171117758

Glc-10/10/10/10-gly

Structural Information

Molecular Formula
C48H87NO15
SMILES
CCCCCCC[C@H](CC(=O)NCC(=O)O)OC(=O)C[C@@H](CCCCCCC)OC(=O)C[C@@H](CCCCCCC)OC(=O)C[C@@H](CCCCCCC)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
InChI
InChI=1S/C48H87NO15/c1-5-9-13-17-21-25-35(29-40(51)49-33-41(52)53)60-42(54)30-36(26-22-18-14-10-6-2)61-43(55)31-37(27-23-19-15-11-7-3)62-44(56)32-38(28-24-20-16-12-8-4)63-48-47(59)46(58)45(57)39(34-50)64-48/h35-39,45-48,50,57-59H,5-34H2,1-4H3,(H,49,51)(H,52,53)/t35-,36-,37-,38-,39-,45-,46+,47-,48-/m1/s1
InChIKey
QFGBVAVVDCEQRP-QIFDDHGCSA-N
Compound name
2-[[(3R)-3-[(3R)-3-[(3R)-3-[(3R)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydecanoyl]oxydecanoyl]oxydecanoyl]oxydecanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

917.60754 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 918.61482 313.5
[M+Na]+ 940.59676 314.8
[M-H]- 916.60026 316.0
[M+NH4]+ 935.64136 324.2
[M+K]+ 956.57070 320.4
[M+H-H2O]+ 900.60480 314.1
[M+HCOO]- 962.60574 299.1
[M+CH3COO]- 976.62139 313.6
[M+Na-2H]- 938.58221 291.9
[M]+ 917.60699 314.3
[M]- 917.60809 314.3
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.