Chem
J-GLOBAL ID:200907058617062680
Nikkaji number:J2.295.725B
[(1R)-2α-(2,6-Diammonio-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyloxy)-3β-ammonio-5β-[[(2S)-2-hydroxy-4-aminiobutanoyl]amino]-6α-hydroxycyclohexane-1β-yl]4-ammonio-4,6-dideoxy-β-D-glucopyranoside
[(1R)-2α-(2,6-ジアンモニオ-2,3,4,6-テトラデオキシ-α-D-erythro-ヘキソピラノシルオキシ)-3β-アンモニオ-5β-[[(2S)-2-ヒドロキシ-4-アミニオブタノイル]アミノ]-6α-ヒドロキシシクロヘキサン-1β-イル]4-アンモニオ-4,6-ジデオキシ-β-D-グルコピラノシド
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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:
C22 H49 N[N+]5 O9
Molecular formula furigana:
C22-H49-N6-O9
Molecular weight:
541.664
InChI:
InChI=1S/C22H44N6O9/c1-8-14(27)16(31)17(32)22(34-8)37-19-15(30)12(28-20(33)13(29)4-5-23)6-11(26)18(19)36-21-10(25)3-2-9(7-24)35-21/h8-19,21-22,29-32H,2-7,23-27H2,1H3,(H,28,33)/p+5/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18-,19-,21-,22+/m1/s1
InChI key:
XUIOIKYDMYXBFJ-ZWQGTLNRSA-S
SMILES:
C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](C[C@H]([NH3+])[C@H]2O[C@H]2O[C@H](C[NH3+])CC[C@H]2[NH3+])NC(=O)[C@@H](O)CC[NH3+])[C@H](O)[C@@H](O)[C@@H]1[NH3+]
Systematic name (3):
[(1R)-2α-(2,6-ジアンモニオ-2,3,4,6-テトラデオキシ-α-D-erythro-ヘキソピラノシルオキシ)-3β-アンモニオ-5β-[[(2S)-2-ヒドロキシ-4-アミニオブタノイル]アミノ]-6α-ヒドロキシシクロヘキサン-1β-イル]4-アンモニオ-4,6-ジデオキシ-β-D-グルコピラノシド
(2R,3S,4S,5R,6S)-6-{[(1R,2R,3S,5R,6S)-3-アザニウミル-5-[(2S)-4-アザニウミル-2-ヒドロキシブタンアミド]-2-{[(2R,3R,6S)-3-アザニウミル-6-(アザニウミルメチル)オキサン-2-イル]オキシ}-6-ヒドロキシシクロヘキシル]オキシ}-4,5-ジヒドロキシ-2-メチルオキサン-3-アミニウム
(2R,3S,4S,5R,6S)-6-{[(1R,2R,3S,5R,6S)-3-azaniumyl-5-[(2S)-4-azaniumyl-2-hydroxybutanamido]-2-{[(2R,3R,6S)-3-azaniumyl-6-(azaniumylmethyl)oxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4,5-dihydroxy-2-methyloxan-3-aminium
Other name (1):
[(1R)-2α-(2,6-Diammonio-2,3,4,6-tetradeoxy-α-D-erythro-hexopyranosyloxy)-3β-ammonio-5β-[[(2S)-2-hydroxy-4-aminiobutanoyl]amino]-6α-hydroxycyclohexane-1β-yl]4-ammonio-4,6-dideoxy-β-D-glucopyranoside
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