| Properties | Image |
| MNX_ID | MNXM1371494 |
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| reference | chebi:16553 |
| formula | C15H22N2O16P2 |
| global charge | 0 |
| mol weight | 548.287 |
| InChIKey | DDWGQQADOIMFOI-JOCQNMFKSA-N |
| InChI | InChI=1S/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,9-,10+,11-,12-,13-,14?/m1/s1 |
| SMILES | C[C@H]1OC(OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O |
MNX internals
| InChI (mnx) | InChI=1/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6-,9-,10+,11-,12-,13-,14?/m1/s1 |
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| SMILES (mnx) | [CH3:1][C@@H:5]1[C:8](=[O:19])[C@H:10]([OH:21])[C@@H:12]([OH:23])[CH:14]([O:32][P:35]([OH:27])(=[O:28])[O:33][P:34]([OH:25])(=[O:26])[O:29][CH2:4][C@@H:6]2[C@@H:9]([OH:20])[C@@H:11]([OH:22])[C@H:13]([N:17]3[CH:3]=[CH:2][C:7]([OH:18])=[N:16][C:15]3=[O:24])[O:31]2)[O:30]1 |
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