CID 172879871
Chebi:83939
Structural Information
- Molecular Formula
- C28H53O13P
- SMILES
- CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC=O)COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O
- InChI
- InChI=1S/C28H53O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(30)40-21(18-38-20-29)19-39-42(36,37)41-28-26(34)24(32)23(31)25(33)27(28)35/h20-21,23-28,31-35H,2-19H2,1H3,(H,36,37)/t21-,23?,24-,25+,26-,27-,28?/m1/s1
- InChIKey
- VFLBRPULVJDKNN-LYDDQOIHSA-N
- Compound name
- [(2R)-1-formyloxy-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] octadecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 629.32968 | 249.0 |
[M+Na]+ | 651.31162 | 244.8 |
[M-H]- | 627.31512 | 244.3 |
[M+NH4]+ | 646.35622 | 246.7 |
[M+K]+ | 667.28556 | 242.0 |
[M+H-H2O]+ | 611.31966 | 236.0 |
[M+HCOO]- | 673.32060 | 255.4 |
[M+CH3COO]- | 687.33625 | 255.6 |
[M+Na-2H]- | 649.29707 | 226.6 |
[M]+ | 628.32185 | 243.6 |
[M]- | 628.32295 | 243.6 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.