CID 3082169
3,2'-difucosyllactose
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](C=O)[C@H]([C@@H]([C@@H](CO)O)O)O[C@H]3[C@H]([C@@H]([C@@H]([C@@H](O3)C)O)O)O)CO)O)O)O)O)O
- InChI
- InChI=1S/C24H42O19/c1-6-11(29)15(33)18(36)22(38-6)42-20(13(31)8(28)3-25)10(5-27)41-24-21(17(35)14(32)9(4-26)40-24)43-23-19(37)16(34)12(30)7(2)39-23/h5-26,28-37H,3-4H2,1-2H3/t6-,7-,8+,9+,10-,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22-,23-,24+/m0/s1
- InChIKey
- BRHHWBDLMUBZQQ-JZEMXWCPSA-N
- Compound name
- (2R,3S,4R,5R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxy-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 635.23934 | 233.8 |
[M+Na]+ | 657.22128 | 234.2 |
[M+NH4]+ | 652.26588 | 234.0 |
[M+K]+ | 673.19522 | 238.8 |
[M-H]- | 633.22478 | 226.9 |
[M+Na-2H]- | 655.20673 | 254.8 |
[M]+ | 634.23151 | 232.0 |
[M]- | 634.23261 | 232.0 |