KV6
Summary
| Name: | (3R)-3-aminoheptadecanoic acid |
| Synonyms: | N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide |
| Formula: | C17 H35 N O2 |
| Formal charge: | 0 |
| Formula weight: | 285.465 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3R)-3-aminoheptadecanoic acid |
| OpenEye OEToolkits | 2.0.7 | (3~{R})-3-azanylheptadecanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(CCCCCCCCCCCCCC)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C17H35NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20/h16H,2-15,18H2,1H3,(H,19,20)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | DDQVUIVECUEYEG-MRXNPFEDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCCCCCC[C@@H](N)CC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCCCCCC[CH](N)CC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCC[C@H](CC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCCCCCCC(CC(=O)O)N |
