| PDB CCD ID: | 66V |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C15 H31 N4 O5 |
| InChI: | InChI=1S/C15H31N4O5/c16-19-18-8-6-4-2-1-3-5-7-17-11-10(9-20)12(21)14(23)15(24)13(11)22/h10-17,20-24H,1-9H2/q+1/t10-,11-,12+,13+,14-,15-/m0/s1 |
| InChIKey: | KPTZFIOZQLVZBJ-SAAWNECCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.4 | C(CCCCN=[N+]=N)CCCNC1C(C(C(C(C1O)O)O)O)CO | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1NCCCCCCCCN=[N+]=N | | CACTVS 3.385 | OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1NCCCCCCCCN=[N+]=N | | ACDLabs 12.01 | C1(C(C(C(C(C1O)O)O)CO)NCCCCCCCC\N=[N+]=N)O | | OpenEye OEToolkits 2.0.4 | C(CCCCN=[N+]=N)CCCN[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1O)O)O)O)CO |
|
| Name: | 1-(8-{[(1S,2R,3S,4S,5R,6R)-2,3,4,5-tetrahydroxy-6-(hydroxymethyl)cyclohexyl]amino}octyl)triaza-1,2-dien-2-ium |
| ZINC: | ZINC000584905252 |
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