| Properties | Image |
|---|
| MNX_ID | MNXM1130082 |
 |
| reference | keggC:C22245 |
| formula | C17H26N4O17P2 |
| global charge | 0 |
| mol weight | 620.354 |
| InChIKey | YSURFBWOKYZUIQ-NEWILNOBSA-N |
| InChI | InChI=1S/C17H26N4O17P2/c1-5(22)19-8-10(25)11(26)13(14(18)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(24)12(27)15(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-13,15-16,24-27H,4H2,1H3,(H2,18,28)(H,19,22)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11-,12-,13+,15-,16-/m1/s1 |
| SMILES | CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](C(N)=O)[C@H](O)[C@@H]1O |
MNX internals
| InChI (mnx) | InChI=1/C17H26N4O17P2/c1-5(22)19-8-10(25)11(26)13(14(18)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(24)12(27)15(35-6)21-3-2-7(23)20-17(21)29/h2-3,6,8-13,15-16,24-27H,4H2,1H3,(H2,18,28)(H,19,22)(H,30,31)(H,32,33)(H,20,23,29)/t6-,8-,9-,10-,11-,12-,13+,15-,16-/m1/s1 |
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| SMILES (mnx) | [CH3:1][C:5](=[N:19][C@@H:8]1[C@@H:10]([OH:25])[C@@H:11]([OH:26])[C@@H:13]([C:14](=[NH:18])[OH:28])[O:36][C@@H:16]1[O:37][P:40]([OH:32])(=[O:33])[O:38][P:39]([OH:30])(=[O:31])[O:34][CH2:4][C@@H:6]1[C@@H:9]([OH:24])[C@@H:12]([OH:27])[C@H:15]([N:21]2[CH:3]=[CH:2][C:7]([OH:23])=[N:20][C:17]2=[O:29])[O:35]1)[OH:22] |
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