| Properties | Image |
|---|
| MNX_ID | MNXM36509 |
 |
| reference | chebi:1531 |
| formula | C19H23N6O10P |
| global charge | 0 |
| mol weight | 526.399 |
| InChIKey | AFIFLOMGXNKHJX-YBGGAFRISA-N |
| InChI | InChI=1S/C19H23N6O10P/c20-9(3-8-1-2-10(26)11(27)4-8)19(30)35-36(31,32)33-5-12-14(28)15(29)18(34-12)25-7-24-13-16(21)22-6-23-17(13)25/h1-2,4,6-7,9,12,14-15,18,26-29H,3,5,20H2,(H,31,32)(H2,21,22,23)/t9-,12+,14+,15+,18+/m0/s1 |
| SMILES | NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)(O)OC(=O)[C@@H](N)CC2=CC(O)=C(O)C=C2)[C@@H](O)[C@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C19H23N6O10P/c20-9(3-8-1-2-10(26)11(27)4-8)19(30)35-36(31,32)33-5-12-14(28)15(29)18(34-12)25-7-24-13-16(21)22-6-23-17(13)25/h1-2,4,6-7,9,12,14-15,18,26-29H,3,5,20H2,(H,31,32)(H2,21,22,23)/t9-,12+,14+,15+,18+/m0/s1 |
 |
| SMILES (mnx) | [CH:1]1=[CH:2][C:10]([OH:26])=[C:11]([OH:27])[CH:4]=[C:8]1[CH2:3][C@@H:9]([C:19](=[O:30])[O:35][P:36]([OH:31])(=[O:32])[O:33][CH2:5][C@@H:12]1[C@@H:14]([OH:28])[C@@H:15]([OH:29])[C@H:18]([N:25]2[CH:7]=[N:24][C:13]3=[C:16]([NH2:21])[N:22]=[CH:6][N:23]=[C:17]32)[O:34]1)[NH2:20] |
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