| Properties | Image |
MNX_ID | MNXM1375855 |
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reference | chebi:188243 |
formula | C17H26N2O14P2 |
global charge | 0 |
mol weight | 544.343 |
InChIKey | JOZTVKXGCLUNKC-LXNYTNQGSA-N |
InChI | InChI=1S/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13?,17+/m0/s1 |
SMILES | CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OC3C[C@@](C)(O)C(=O)[C@H](C)O3)O2)C(=O)NC1=O |
MNX internals
InChI (mnx) | InChI=1/C17H26N2O14P2/c1-8-6-19(16(23)18-15(8)22)12-4-10(20)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,24)14(21)9(2)30-13/h6,9-13,20,24H,4-5,7H2,1-3H3,(H,25,26)(H,27,28)(H,18,22,23)/t9-,10-,11+,12+,13?,17+/m0/s1 |
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SMILES (mnx) | [CH3:1][C:8]1=[CH:6][N:19]([C@H:12]2[CH2:4][C@H:10]([OH:20])[C@@H:11]([CH2:7][O:29][P:34]([OH:25])(=[O:26])[O:33][P:35]([OH:27])(=[O:28])[O:32][CH:13]3[CH2:5][C@@:17]([CH3:3])([OH:24])[C:14](=[O:21])[C@H:9]([CH3:2])[O:30]3)[O:31]2)[C:16](=[O:23])[N:18]=[C:15]1[OH:22] |
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