| Properties | Image |
MNX_ID | MNXM164868 |
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reference | sabiorkM:23770 |
formula | C9H14N3O6P |
global charge | 0 |
mol weight | 291.2 |
InChIKey | RAJMXAZJKUGYGW-SVRRBLITSA-N |
InChI | InChI=1S/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m1/s1 |
SMILES | N=C1C=CN([C@@H]2CC[C@H](COP(=O)(O)O)O2)C(O)=N1 |
MNX internals
InChI (mnx) | InChI=1/C9H14N3O6P/c10-7-3-4-12(9(13)11-7)8-2-1-6(18-8)5-17-19(14,15)16/h3-4,6,8H,1-2,5H2,(H2,10,11,13)(H2,14,15,16)/t6-,8+/m1/s1 |
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SMILES (mnx) | [CH2:1]1[CH2:2][C@@H:8]([N:12]2[CH:4]=[CH:3][C:7](=[NH:10])[N:11]=[C:9]2[OH:13])[O:18][C@H:6]1[CH2:5][O:17][P:19]([OH:14])([OH:15])=[O:16] |
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