Chem
J-GLOBAL ID:202107008797171090
Nikkaji number:J3.759.695G
β-D-fructofuranosyl-(2→1)-α-N,N′,N′′-triacetylchitotrioside
β-D-フルクトフラノシル-(2→1)-α-N,N′,N′′-トリアセチルキトトリオシド
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C30 H51 N3 O21
Molecular formula furigana:
C30-H51-N3-O21
Molecular weight:
789.738
InChI:
InChI=1S/C30H51N3O21/c1-9(39)31-16-21(44)19(42)12(4-34)48-27(16)51-24-14(6-36)49-28(17(22(24)45)32-10(2)40)52-25-15(7-37)50-29(18(23(25)46)33-11(3)41)54-30(8-38)26(47)20(43)13(5-35)53-30/h12-29,34-38,42-47H,4-8H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)/t12-,13-,14+,15-,16-,17+,18-,19-,20-,21-,22+,23-,24+,25-,26+,27+,28-,29-,30+/m1/s1
InChI key:
GLGCUNNJADFVAY-NPRBBGMOSA-N
SMILES:
OC[C@H]1O[C@](O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O[C@H]2O[C@@H](CO)[C@@H]([C@H]([C@@H]2NC(=O)C)O)O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O)(CO)[C@@H](O)[C@@H]1O
Systematic name (3):
[4-O-[4-O-(2-アセチルアミノ-2-デオキシ-β-D-グルコピラノシル)-2-アセチルアミノ-2-デオキシ-β-D-グルコピラノシル]-2-アセチルアミノ-2-デオキシ-α-D-グルコピラノシル]β-D-フルクトフラノシド
N-[(2R,3R,4R,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-ジヒドロキシ-2,5-ビス(ヒドロキシメチル)オキソラン-2-イル]オキシ}-5-{[(2R,3S,4S,5R,6S)-3-アセトアミド-5-{[(2S,3R,4R,5S,6R)-3-アセトアミド-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]アセトアミド
N-[(2R,3R,4R,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-5-{[(2R,3S,4S,5R,6S)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Other name (2):
β-D-フルクトフラノシル-(2→1)-α-N,N′,N′′-トリアセチルキトトリオシド
β-D-fructofuranosyl-(2→1)-α-N,N′,N′′-triacetylchitotrioside
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