| Properties | Image |
|---|
| MNX_ID | MNXM164925 |
 |
| reference | metacycM:CPD-18313 |
| formula | C17H23N8O10P |
| global charge | 0 |
| mol weight | 530.391 |
| InChIKey | FREFPYUWSJHOPS-ABWGKLGFSA-N |
| InChI | InChI=1S/C17H23N8O10P/c18-7(3-21-10(27)2-1-9(19)26)17(30)35-36(31,32)33-4-8-12(28)13(29)16(34-8)25-6-24-11-14(20)22-5-23-15(11)25/h1-2,5-8,12-13,16,28-29H,3-4,18H2,(H2,19,26)(H,21,27)(H,31,32)(H2,20,22,23)/b2-1+/t7-,8+,12+,13+,16+/m0/s1 |
| SMILES | NC(=O)/C=C/C(=O)NC[C@H]([NH3+])C(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C17H23N8O10P/c18-7(3-21-10(27)2-1-9(19)26)17(30)35-36(31,32)33-4-8-12(28)13(29)16(34-8)25-6-24-11-14(20)22-5-23-15(11)25/h1-2,5-8,12-13,16,28-29H,3-4,18H2,(H2,19,26)(H,21,27)(H,31,32)(H2,20,22,23)/b2-1+/t7-,8+,12+,13+,16+/m0/s1 |
 |
| SMILES (mnx) | [CH:1](=[CH:2]/[C:10](=[N:21]/[CH2:3][C@@H:7]([C:17](=[O:30])[O:35][P:36]([OH:31])(=[O:32])[O:33][CH2:4][C@@H:8]1[C@@H:12]([OH:28])[C@@H:13]([OH:29])[C@H:16]([N:25]2[CH:6]=[N:24][C:11]3=[C:14]([NH2:20])[N:22]=[CH:5][N:23]=[C:15]32)[O:34]1)[NH2:18])[OH:27])\[C:9](=[NH:19])[OH:26] |
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