MO0
Summary
| Name: | mannopine |
| Formula: | C11 H22 N2 O8 |
| Formal charge: | 0 |
| Formula weight: | 310.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | (2~{S})-5-azanyl-5-oxidanylidene-2-[[(2~{R},3~{R},4~{R},5~{R})-2,3,4,5,6-pentakis(oxidanyl)hexyl]amino]pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1 |
| InChIKey | InChI | 1.03 | VPRLICVDSGMIKO-SZWOQXJISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O |
| SMILES | CACTVS | 3.385 | NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH](O)CO)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | C(CC(=O)N)C(C(=O)O)NCC(C(C(C(CO)O)O)O)O |
