| Properties | Image |
|---|
| MNX_ID | MNXM1100901 |
 |
| reference | metacycM:CPD-17506 |
| formula | C16H24N2O14P2 |
| global charge | -2 |
| mol weight | 530.316 |
| InChIKey | GLUZBIYLBPDBPE-MDRVADGTSA-L |
| InChI | InChI=1S/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/p-2/t8-,9-,10+,11+,12+,13+,14-/m0/s1 |
| SMILES | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]3C[C@@H](O)[C@@H](O)[C@H](C)O3)O2)C(=O)NC1=O |
MNX internals
| InChI (mnx) | InChI=1/C16H26N2O14P2/c1-7-5-18(16(23)17-15(7)22)12-3-9(19)11(30-12)6-28-33(24,25)32-34(26,27)31-13-4-10(20)14(21)8(2)29-13/h5,8-14,19-21H,3-4,6H2,1-2H3,(H,24,25)(H,26,27)(H,17,22,23)/t8-,9-,10+,11+,12+,13+,14-/m0/s1 |
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| SMILES (mnx) | [CH3:1][C:7]1=[CH:5][N:18]([C@H:12]2[CH2:3][C@H:9]([OH:19])[C@@H:11]([CH2:6][O:28][P:33]([OH:24])(=[O:25])[O:32][P:34]([OH:26])(=[O:27])[O:31][C@@H:13]3[CH2:4][C@@H:10]([OH:20])[C@@H:14]([OH:21])[C@H:8]([CH3:2])[O:29]3)[O:30]2)[C:16](=[O:23])[N:17]=[C:15]1[OH:22] |
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