| Properties | Image |
| MNX_ID | MNXM160972 |
 |
| reference | keggD:D05795 |
| formula | C6H12N2Na5O12P4Sm |
| global charge | 0 |
| mol weight | 693.37 |
| InChIKey | SZZACTGRBZTAKY-UHFFFAOYSA-F |
| InChI | InChI=1S/C6H20N2O12P4.5Na.Sm/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;5*+1;+3/p-8 |
| SMILES | O=P([O-])([O-])CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Sm+3] |
MNX internals
| InChI (mnx) | InChI=1/C6H20N2O12P4.5Na.Sm/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20;;;;;;/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20);;;;;;/q;5*+1;+3 |
 |
| SMILES (mnx) | [CH2:1]([CH2:2][N:8]([CH2:5][P:23]([OH:15])([OH:16])=[O:17])[CH2:6][P:24]([OH:18])([OH:19])=[O:20])[N:7]([CH2:3][P:21]([OH:9])([OH:10])=[O:11])[CH2:4][P:22]([OH:12])([OH:13])=[O:14].[Na+:25].[Na+:26].[Na+:27].[Na+:28].[Na+:29].[Sm+3:30] |
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