CID 16211038
Fuc(a1-2)gal(b1-4)[fuc(a1-3)]glc
Structural Information
- Molecular Formula
- C24H42O19
- SMILES
- C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2O[C@@H]3[C@H](OC([C@@H]([C@H]3O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O)O)CO)CO)O)O)O)O)O
- InChI
- InChI=1S/C24H42O19/c1-5-9(27)12(30)15(33)22(37-5)42-19-17(35)21(36)39-8(4-26)18(19)41-24-20(14(32)11(29)7(3-25)40-24)43-23-16(34)13(31)10(28)6(2)38-23/h5-36H,3-4H2,1-2H3/t5-,6-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16-,17+,18+,19+,20+,21?,22-,23-,24-/m0/s1
- InChIKey
- LKOHREGGXUJGKC-NTQZDHPLSA-N
- Compound name
- (2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R)-5,6-dihydroxy-2-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 635.23934 | 234.3 |
[M+Na]+ | 657.22128 | 233.1 |
[M+NH4]+ | 652.26588 | 233.1 |
[M+K]+ | 673.19522 | 240.3 |
[M-H]- | 633.22478 | 226.0 |
[M+Na-2H]- | 655.20673 | 254.2 |
[M]+ | 634.23151 | 231.2 |
[M]- | 634.23261 | 231.2 |