| PDB CCD ID: | 4S7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C21 H45 N3 O3 P |
| InChI: | InChI=1S/C21H44N3O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-28(25,26)21-18-19-23-24-22/h22H,2-21H2,1H3/p+1 |
| InChIKey: | ZBOFNSYOCJATLZ-UHFFFAOYSA-O |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CCCCCCCCCCCCCCCCCCOP(=O)(CCCN=[N+]=N)O | | CACTVS 3.385 | CCCCCCCCCCCCCCCCCCO[P](O)(=O)CCCN=[N+]=N | | ACDLabs 12.01 | C(CP(O)(=O)OCCCCCCCCCCCCCCCCCC)C\N=[N+]=N |
|
| Name: | 1-{3-[(R)-hydroxy(octadecyloxy)phosphoryl]propyl}triaza-1,2-dien-2-ium;
octadecyl hydrogen (R)-(3-azidopropyl)phosphonate |
| ZINC: | ZINC000584905060 |
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