Chem
J-GLOBAL ID：200907019476772098   Nikkaji number：J1.623.753A

(2S,3S,4R)-1-(2-Amino-2-deoxy-α-D-galactopyranosyloxy)-2-(pentacosanoylamino)-3,4-octadecanediol

(2S,3S,4R)-1-(2-アミノ-2-デオキシ-α-D-ガラクトピラノシルオキシ)-2-(ペンタコサノイルアミノ)-3,4-オクタデカンジオール
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： C49H98N2O8
Molecular formula furigana： C49-H98-N2-O8
Molecular weight： 843.329
InChI： InChI=1S/C49H98N2O8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38-44(54)51-41(40-58-49-45(50)48(57)47(56)43(39-52)59-49)46(55)42(53)37-35-33-31-29-27-16-14-12-10-8-6-4-2/h41-43,45-49,52-53,55-57H,3-40,50H2,1-2H3,(H,51,54)/t41-,42+,43+,45+,46-,47-,48+,49-/m0/s1
InChI key： BGRZHQCUECSKGY-KIULWJTBSA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
Systematic name  (3)：
  • (2S,3S,4R)-1-(2-アミノ-2-デオキシ-α-D-ガラクトピラノシルオキシ)-2-(ペンタコサノイルアミノ)-3,4-オクタデカンジオール
  • N-[(2S,3S,4R)-1-{[(2S,3R,4R,5R,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}-3,4-ジヒドロキシオクタデカン-2-イル]ペンタコサンアミド
  • N-[(2S,3S,4R)-1-{[(2S,3R,4R,5R,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxyoctadecan-2-yl]pentacosanamide
Other name (1)：
  • (2S,3S,4R)-1-(2-Amino-2-deoxy-α-D-galactopyranosyloxy)-2-(pentacosanoylamino)-3,4-octadecanediol
Thsaurus map：
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