CID 11966248
Lambda-carratetraose
Structural Information
- Molecular Formula
- C24H42O39S6
- SMILES
- C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)OS(=O)(=O)O)O[C@H]3[C@H]([C@H](O[C@H]([C@@H]3OS(=O)(=O)O)O[C@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)OS(=O)(=O)O)O)COS(=O)(=O)O)CO)O)COS(=O)(=O)O)OS(=O)(=O)O)O)O)O
- InChI
- InChI=1S/C24H42O39S6/c25-1-5-9(27)11(29)18(61-67(42,43)44)22(54-5)57-15-8(4-52-65(36,37)38)56-23(19(13(15)31)62-68(45,46)47)59-16-10(28)6(2-26)55-24(20(16)63-69(48,49)50)58-14-7(3-51-64(33,34)35)53-21(32)17(12(14)30)60-66(39,40)41/h5-32H,1-4H2,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)/t5-,6-,7-,8-,9+,10+,11+,12+,13+,14+,15+,16+,17-,18-,19-,20-,21+,22+,23-,24+/m1/s1
- InChIKey
- CFLYIPGVTFOQCI-SQESNNFJSA-N
- Compound name
- [(2R,3R,4S,5R,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-2-yl]oxy-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-4,6-dihydroxy-5-sulfooxy-2-(sulfooxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-sulfooxyoxan-4-yl]oxy-4-hydroxy-6-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1146.9701 | 263.9 |
[M+Na]+ | 1168.9520 | 268.6 |
[M+NH4]+ | 1163.9966 | 266.7 |
[M+K]+ | 1184.9260 | 271.4 |
[M-H]- | 1144.9555 | 261.9 |
[M+Na-2H]- | 1166.9375 | 292.4 |
[M]+ | 1145.9623 | 265.3 |
[M]- | 1145.9633 | 265.3 |