VSD
Summary
| Name: | 3-Dehydrosphinganine |
| Synonyms: | (2S,6E)-2-amino-1-hydroxyoctadec-6-en-3-one |
| Formula: | C18 H37 N O2 |
| Formal charge: | 0 |
| Formula weight: | 299.492 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-amino-1-hydroxyoctadecan-3-one |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-2-azanyl-1-oxidanyl-octadecan-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(C(C(N)CO)=O)CCCCCCCCCCCCCC |
| 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/h17,20H,2-16,19H2,1H3/t17-/m0/s1 |
| InChIKey | InChI | 1.03 | KBUNOSOGGAARKZ-KRWDZBQOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)[C@@H](N)CO |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCCCC(=O)[CH](N)CO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCC(=O)[C@H](CO)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCCC(=O)C(CO)N |
