| Properties | Image |
MNX_ID | MNXM1105796 |
 |
reference | chebi:47984 |
formula | C8H16NO9P |
global charge | 0 |
mol weight | 301.188 |
InChIKey | FZLJPEPAYPUMMR-PVFLNQBWSA-N |
InChI | InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1 |
SMILES | CC(=O)N[C@H]1[C@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O |
MNX internals
InChI (mnx) | InChI=1/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8+/m1/s1 |
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SMILES (mnx) | [CH3:1][C:3](=[N:9][C@@H:5]1[C@@H:7]([OH:13])[C@H:6]([OH:12])[C@@H:4]([CH2:2][OH:10])[O:17][C@H:8]1[O:18][P:19]([OH:14])([OH:15])=[O:16])[OH:11] |
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