SPH
Summary
| Name: | SPHINGOSINE |
| Formula: | C18 H37 N O2 |
| Formal charge: | 0 |
| Formula weight: | 299.492 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2R,3S,4Z)-2-aminooctadec-4-ene-1,3-diol |
| OpenEye OEToolkits | 1.5.0 | (2R,3S)-2-aminooctadec-4-ene-1,3-diol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | OCC(N)C(O)\C=C/CCCCCCCCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCCCCCCCC\C=C/[C@H](O)[C@H](N)CO |
| SMILES | CACTVS | 3.341 | CCCCCCCCCCCCCC=C[CH](O)[CH](N)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCC=C[C@@H]([C@@H](CO)N)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCCCCCCCC=CC(C(CO)N)O |
| InChI | InChI | 1.03 | InChI=1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3/t17-,18+/m1/s1 |
| InChIKey | InChI | 1.03 | WWUZIQQURGPMPG-MSOLQXFVSA-N |
