Chem
J-GLOBAL ID：200907004379084562
Nikkaji number：J682.429C
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ガゼル
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
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
Molecular formula： C43H67N5O28
Molecular formula furigana： C43-H67-N5-O28
Molecular weight： 1102.016
InChI：
InChI=1S/C43H67N5O28/c1-13(2-3-44-36-20-37(46-11-45-36)48(12-47-20)38-27(61)23(57)14(4-49)67-38)10-66-39-31(65)34(33(19(9-54)71-39)74-40-28(62)24(58)17(7-52)69-40)75-42-30(64)32(18(8-53)72-42)73-43-35(26(60)22(56)16(6-51)70-43)76-41-29(63)25(59)21(55)15(5-50)68-41/h2,11-12,14-19,21-35,38-43,49-65H,3-10H2,1H3,(H,44,45,46)/b13-2+/t14-,15-,16-,17+,18+,19-,21+,22+,23-,24+,25+,26+,27-,28-,29-,30-,31-,32+,33+,34-,35-,38-,39-,40+,41+,42+,43-/m1/s1
InChI key：
LHDGISWXLILHQA-ZMSKMCPLSA-N
SMILES：
C/C(=C\CNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)/CO[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]2O)[C@H]1O
Systematic name (3)：
- N-[(E)-4-[[3-O-[3-O-[2-O-(β-D-ガラクトピラノシル)-α-D-ガラクトピラノシル]-α-L-アラビノフラノシル]-4-O-(α-L-アラビノフラノシル)-β-D-ガラクトピラノシル]オキシ]-3-メチル-2-ブテニル]アデノシン
- (2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6R)-2-{[(2S,3R,4R,5S)-5-{[(2R,3R,4R,5S,6R)-2-{[(2E)-4-({9-[(2R,3R,4S,5R)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]-9H-プリン-6-イル}アミノ)-2-メチルブタ-2-エン-1-イル]オキシ}-5-{[(2S,3R,4R,5S)-3,4-ジヒドロキシ-5-(ヒドロキシメチル)オキソラン-2-イル]オキシ}-3-ヒドロキシ-6-(ヒドロキシメチル)オキサン-4-イル]オキシ}-4-ヒドロキシ-2-(ヒドロキシメチル)オキソラン-3-イル]オキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-6-(ヒドロキシメチル)オキサン-3,4,5-トリオール
- (2S,3R,4S,5R,6R)-2-{[(2R,3R,4S,5R,6R)-2-{[(2S,3R,4R,5S)-5-{[(2R,3R,4R,5S,6R)-2-{[(2E)-4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)-2-methylbut-2-en-1-yl]oxy}-5-{[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
- N-[(E)-4-[[3-O-[3-O-[2-O-(β-D-Galactopyranosyl)-α-D-galactopyranosyl]-α-L-arabinofuranosyl]-4-O-(α-L-arabinofuranosyl)-β-D-galactopyranosyl]oxy]-3-methyl-2-butenyl]adenosine
- ガゼル
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