Chem
J-GLOBAL ID:200907041091552742
Nikkaji number:J1.266.374I
Chitotetraose
キトテトラオース
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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:
C24 H46 N4 O17
Molecular formula furigana:
C24-H46-N4-O17
Molecular weight:
662.643
InChI:
InChI=1S/C24H46N4O17/c25-9-15(35)18(6(2-30)39-21(9)38)43-23-11(27)17(37)20(8(4-32)41-23)45-24-12(28)16(36)19(7(3-31)42-24)44-22-10(26)14(34)13(33)5(1-29)40-22/h5-24,29-38H,1-4,25-28H2/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22+,23+,24+/m1/s1
InChI key:
LXTRMZCYLAULGH-BWMMPDKDSA-N
SMILES:
N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H]1O
Systematic name (3):
2-アミノ-4-O-[2-アミノ-4-O-[2-アミノ-4-O-(2-アミノ-2-デオキシ-β-D-グルコピラノシル)-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-β-D-グルコピラノシル]-2-デオキシ-D-グルコピラノース
(3R,4R,5S,6R)-3-アミノ-5-{[(2S,3R,4R,5S,6R)-3-アミノ-5-{[(2S,3R,4R,5S,6R)-3-アミノ-5-{[(2S,3R,4R,5S,6R)-3-アミノ-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-2-イル]オキシ}-6-(ヒドロキシメチル)オキサン-2,4-ジオール
(3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-5-{[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,4-diol
Other name (3):
2-Amino-4-O-[2-amino-4-O-[2-amino-4-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-β-D-glucopyranosyl]-2-deoxy-D-glucopyranose
キトテトラオース
Chitotetraose
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