CID 25245165
Bisdiphosphoinositol tetrakisphosphate
Structural Information
- Molecular Formula
- C6H20O30P8
- SMILES
- [C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
- InChI
- InChI=1S/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+/m1/s1
- InChIKey
- GXPFHIDIIMSLOF-YORTWTKJSA-N
- Compound name
- [(1S,2S,3R,4R,5S,6R)-2-[hydroxy(phosphonooxy)phosphoryl]oxy-3,4,5,6-tetraphosphonooxycyclohexyl] phosphono hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 820.80128 | 208.8 |
[M+Na]+ | 842.78322 | 214.2 |
[M-H]- | 818.78672 | 218.0 |
[M+NH4]+ | 837.82782 | 210.9 |
[M+K]+ | 858.75716 | 206.6 |
[M+H-H2O]+ | 802.79126 | 202.2 |
[M+HCOO]- | 864.79220 | 213.8 |
[M+CH3COO]- | 878.80785 | 218.1 |
[M+Na-2H]- | 840.76867 | 225.1 |
[M]+ | 819.79345 | 178.2 |
[M]- | 819.79455 | 178.2 |