ITP – ITP
| Name | ||
|---|---|---|
| WID | ITP |
|
| Name | ITP |
|
| Traditional name | ({[3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate | |
| IUPAC name | ({[3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methyl phosphonato}oxy)(phosphonatooxy)phosphinate | |
| Cross references | CAS: 132-06-9, ChEBI: 16039, PubChem: 3381, ThreeDMET: B01153, KEGG: C00081, | |
| Classification | ||
| Type | modified_ribonucleotide_triphosphate |
|
| Structure | ||
| Empirical formula (pH 7.5) | H11C10N4O14P3 | |
| SMILES (pH 7.5) | OC1C(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)OC(C1O)N1C=NC2=C1NC=NC2=O | |
| Charge (pH 7.5) | -5 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 504.13 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
338.03 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | -2534.20 | |
| pI | 1.62 | |
| logP | -2.93 | |
| logD (pH 7.5) | -10.67 | |
| Function | ||
| Reaction participant |
|
|
| Metadata | ||
| Created | 2012-10-01 15:07:01 | |
| Last updated | 2012-10-01 15:12:17 | |
