| PDB CCD ID: | X05 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H16 N2 O3 |
| InChI: | InChI=1S/C8H16N2O3/c9-4-3-10-2-1-5(11)6(10)8(13)7(4)12/h4-8,11-13H,1-3,9H2/t4-,5-,6+,7+,8+/m0/s1 |
| InChIKey: | LKBIVYWSUHFIBP-TVNFTVLESA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.352 | N[CH]1CN2CC[CH](O)[CH]2[CH](O)[CH]1O | | OpenEye OEToolkits 1.6.1 | C1C[N@@]2C[C@@H]([C@H]([C@@H]([C@H]2[C@H]1O)O)O)N | | ACDLabs 10.04 | OC1CCN2C1C(O)C(O)C(N)C2 | | OpenEye OEToolkits 1.6.1 | C1CN2CC(C(C(C2C1O)O)O)N | | CACTVS 3.352 | N[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O |
|
| Name: | AMINO-CASTANOSPERMINE;
(1S,6S,7R,8R,8AR)-6-AMINOOCTAHYDROINDOLIZINE-1,7,8-TRIOL |
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