Chem
J-GLOBAL ID:200907063917562832
Nikkaji number:J677.300A
Lacto-N-tetraose
ラクト-N-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:
C26 H45 NO21
Molecular formula furigana:
C26-H45-N-O21
Molecular weight:
707.632
InChI:
InChI=1S/C26H45NO21/c1-7(33)27-13-22(47-25-19(41)18(40)15(37)10(4-30)44-25)16(38)11(5-31)43-24(13)48-23-17(39)12(6-32)45-26(20(23)42)46-21(9(35)3-29)14(36)8(34)2-28/h2,8-26,29-32,34-42H,3-6H2,1H3,(H,27,33)/t8-,9+,10+,11+,12+,13+,14+,15-,16+,17-,18-,19+,20+,21+,22+,23-,24-,25-,26-/m0/s1
InChI key:
USIPEGYTBGEPJN-TYWGMFGMSA-N
SMILES:
CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C=O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Systematic name (4):
4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-3-O-(β-D-ガラクトピラノシル)-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-D-グルコース
4-O-[3-O-[2-(アセチルアミノ)-2-デオキシ-3-O-β-D-ガラクトピラノシル-β-D-グルコピラノシル]-β-D-ガラクトピラノシル]-D-グルコース
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-ジヒドロキシ-2-(ヒドロキシメチル)-6-{[(2R,3R,4R,5R)-1,2,4,5-テトラヒドロキシ-6-オキソヘキサン-3-イル]オキシ}オキサン-4-イル]オキシ}-5-ヒドロキシ-6-(ヒドロキシメチル)-4-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-3-イル]アセトアミド
N-[(2S,3R,4R,5S,6R)-2-{[(2R,3S,4S,5R,6S)-3,5-dihydroxy-2-(hydroxymethyl)-6-{[(2R,3R,4R,5R)-1,2,4,5-tetrahydroxy-6-oxohexan-3-yl]oxy}oxan-4-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]acetamide
Other name (6):
CAS registry number:
14116-68-8
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