Wikidata entity: Q27125717
C₂₁H₂₅N₇O₁₇P₃³⁻ (P274)
Quantities
| P2067 | mass | 740.0536229697301 |
| P233 | canonical SMILES | String | C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C4N=CN=C5N)OP(=O)([O-])[O-])O)O)O)C(=O)N | ??? |
| P31 | instance of | ... | Q59199015 (group of stereoisomers) | group of stereoisomers |
| P2017 | isomeric SMILES | String | C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C4N=CN=C5N)OP(=O)([O-])[O-])O)O)O)C(=O)N | ??? |
| P361 | part of | ... | Q14877627 (NADPH regeneration) | NADPH regeneration |
| P361 | part of | ... | Q21101458 (NADPH oxidation) | NADPH oxidation |
| P361 | part of | ... | Q21114624 (NADP+ binding) | NADP+ binding |
| P361 | part of | ... | Q22316129 (pyruvate dehydrogenase (NADP+) activity) | pyruvate dehydrogenase (NADP+) activity |
| P361 | part of | ... | Q827489 (pentose-phosphate shunt) | pentose-phosphate shunt |
| P279 | subclass of | ... | Q11173 (chemical compound) | chemical compound |
| P2868 | subject has role | ... | Q3333419 (primary metabolite) | primary metabolite |
| P231 | CAS Registry Number | 165676-60-8 |
| P683 | ChEBI ID | 58349 |
| P661 | ChemSpider ID | 10239198 |
| P3117 | DSSTox substance ID | DTXSID801100174 |
| P234 | InChI | InChI=1S/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/p-3/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 |
| P235 | InChIKey | XJLXINKUBYWONI-NNYOXOHSSA-K |
| P662 | PubChem CID | 15938972 |
| P1579 | Reaxys registry number | 4122171 |
| P11089 | UniChem compound ID | 1096352 |
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