CID 162370956
Chebi:187897
Structural Information
- Molecular Formula
- C38H65N3O28
- SMILES
- CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)O)OC[C@@H](CO)NC=O)CO)CO)NC(=O)C)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)CO)O)O
- InChI
- InChI=1S/C38H65N3O28/c1-11(48)40-19-24(53)21(50)14(4-43)62-34(19)61-9-18-23(52)33(69-37-28(57)25(54)22(51)15(5-44)63-37)20(41-12(2)49)35(66-18)67-31-17(7-46)65-38(30(59)27(31)56)68-32-16(6-45)64-36(29(58)26(32)55)60-8-13(3-42)39-10-47/h10,13-38,42-46,50-59H,3-9H2,1-2H3,(H,39,47)(H,40,48)(H,41,49)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24-,25+,26-,27-,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+/m1/s1
- InChIKey
- SIVJFOGIJQXEIA-GUGKNESXSA-N
- Compound name
- N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R,6S)-5-acetamido-6-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(2R)-2-formamido-3-hydroxypropoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3-hydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1012.3828 | 293.2 |
[M+Na]+ | 1034.3647 | 293.6 |
[M+NH4]+ | 1029.4093 | 295.0 |
[M+K]+ | 1050.3387 | 297.4 |
[M-H]- | 1010.3682 | 289.1 |
[M+Na-2H]- | 1032.3502 | 319.6 |
[M]+ | 1011.3750 | 293.8 |
[M]- | 1011.3760 | 293.8 |
Literature stripe
Patent stripe
No patent data available for this compound.