| PDB CCD ID: | 2OR |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C6 H15 N4 O4 |
| InChI: | InChI=1S/C6H14N4O4/c7-3(5(13)14)4(12)2(11)1-10-6(8)9/h2-4,11-12H,1,7H2,(H,13,14)(H4,8,9,10)/p+1/t2-,3+,4+/m1/s1 |
| InChIKey: | LYAOXRAIEOXDDL-UZBSEBFBSA-O |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | N[CH]([CH](O)[CH](O)CNC(N)=[NH2+])C(O)=O | | OpenEye OEToolkits 1.7.6 | C(C(C(C(C(=O)O)N)O)O)NC(=[NH2+])N | | OpenEye OEToolkits 1.7.6 | C([C@H]([C@@H]([C@@H](C(=O)O)N)O)O)NC(=[NH2+])N | | CACTVS 3.385 | N[C@@H]([C@@H](O)[C@H](O)CNC(N)=[NH2+])C(O)=O | | ACDLabs 12.01 | O=C(O)C(N)C(O)C(O)CNC(=[NH2+])\N |
|
| Name: | amino{[(2R,3R,4S)-4-amino-2,3,5-trihydroxy-5-oxopentyl]amino}methaniminium |
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