FUY
概要
表記: | beta-L-fucosyl-azide |
別名: | 1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium IMINO-[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-OXAN-2-YL]IMINO-AZANIUM |
組成式: | C6 H12 N3 O4 |
電荷: | 1 |
化学式量: | 190.177 Da |
分子種別: | L-saccharide |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium (non-preferred name) |
OpenEye OEToolkits | 1.6.1 | imino-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]imino-azanium |
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 | 10.04 | [N@H]=[N+]=N/C1OC(C(O)C(O)C1O)C |
SMILES_CANONICAL | CACTVS | 3.352 | C[C@@H]1O[C@H](N=[N+]=N)[C@@H](O)[C@H](O)[C@@H]1O |
SMILES | CACTVS | 3.352 | C[CH]1O[CH](N=[N+]=N)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N)O)O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | CC1C(C(C(C(O1)N=[N+]=N)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H12N3O4/c1-2-3(10)4(11)5(12)6(13-2)8-9-7/h2-7,10-12H,1H3/q+1/t2-,3+,4+,5-,6-/m0/s1 |
InChIKey | InChI | 1.03 | UVVVIJNFFIMQDY-KGJVWPDLSA-N |