KV6
概要
表記: | (3R)-3-aminoheptadecanoic acid |
別名: | 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 |
組成式: | C17 H35 N O2 |
電荷: | 0 |
化学式量: | 285.465 Da |
分子種別: | non-polymer |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | (3R)-3-aminoheptadecanoic acid |
OpenEye OEToolkits | 2.0.7 | (3~{R})-3-azanylheptadecanoic acid |
化合物記述子(線形表記)
種別 | プログラム | バージョン | 表記 |
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 |