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demethyldehydrophos
MNXM11343 is deprecated and here replaced by MNXM1364667
!!! Alternative mappings exist !!!
| Properties | Image |
| MNX_ID | MNXM1364667 |
 |
| reference | metacycM:CPD-12973 |
| formula | C10H20N3O5P |
| global charge | 0 |
| mol weight | 293.26 |
| InChIKey | JNCOZOLNZNSFRQ-QMMMGPOBSA-N |
| InChI | InChI=1S/C10H20N3O5P/c1-6(2)4-8(13-9(14)5-11)10(15)12-7(3)19(16,17)18/h6,8H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)(H2,16,17,18)/t8-/m0/s1 |
| SMILES | C=C(NC(=O)[C@H](CC(C)C)NC(=O)C[NH3+])P(=O)([O-])O |
MNX internals
| InChI (mnx) | InChI=1/C10H20N3O5P/c1-6(2)4-8(13-9(14)5-11)10(15)12-7(3)19(16,17)18/h6,8H,3-5,11H2,1-2H3,(H,12,15)(H,13,14)(H2,16,17,18)/t8-/m0/s1 |
 |
| SMILES (mnx) | [CH3:1][CH:6]([CH3:2])[CH2:4][C@@H:8]([C:10](=[N:12][C:7](=[CH2:3])[P:19]([OH:16])([OH:17])=[O:18])[OH:15])[N:13]=[C:9]([CH2:5][NH2:11])[OH:14] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
| in my sandbox |
0 |
| in MNXref (generic) | 1 |
| in models (compartimentalized) |
0 |
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