Chem
J-GLOBAL ID:200907068813409007   Nikkaji number:J2.021.721I

2-O-(2-Amino-2-deoxy-α-D-glucopyranosyl)-D-myo-inositol 1-[phosphoric acid 2-(2-hydroxytetracosanoylamino)-3,4-dihydroxyoctadecyl] ester

2-O-(2-アミノ-2-デオキシ-α-D-グルコピラノシル)-D-myo-イノシトール1-[りん酸2-(2-ヒドロキシテトラコサノイルアミノ)-3,4-ジヒドロキシオクタデシル]
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: C54H107N2O17P
Molecular formula furigana: C54-H107-N2-O17-P
Molecular weight: 1087.421
InChI: InChI=1S/C54H107N2O17P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-41(59)53(67)56-39(44(60)40(58)35-33-31-29-27-25-16-14-12-10-8-6-4-2)38-70-74(68,69)73-52-50(66)48(64)47(63)49(65)51(52)72-54-43(55)46(62)45(61)42(37-57)71-54/h39-52,54,57-66H,3-38,55H2,1-2H3,(H,56,67)(H,68,69)/t39?,40?,41?,42-,43-,44?,45-,46-,47+,48+,49-,50-,51-,52+,54-/m1/s1
InChI key: VIBYLRIMEBYIES-SMXHUQGQSA-N
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N)C(O)C(O)CCCCCCCCCCCCCC
Systematic name  (3):
  • 2-O-(2-アミノ-2-デオキシ-α-D-グルコピラノシル)-D-myo-イノシトール1-[りん酸2-(2-ヒドロキシテトラコサノイルアミノ)-3,4-ジヒドロキシオクタデシル]
  • {[(1S,2R,3R,4S,5S,6R)-2-{[(2R,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}-3,4,5,6-テトラヒドロキシシクロヘキシル]オキシ}({[3,4-ジヒドロキシ-2-(2-ヒドロキシテトラコサンアミド)オクタデシル]オキシ})ホスフィン酸
  • {[(1S,2R,3R,4S,5S,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}({[3,4-dihydroxy-2-(2-hydroxytetracosanamido)octadecyl]oxy})phosphinic acid
Other name (1):
  • 2-O-(2-Amino-2-deoxy-α-D-glucopyranosyl)-D-myo-inositol 1-[phosphoric acid 2-(2-hydroxytetracosanoylamino)-3,4-dihydroxyoctadecyl] ester
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