Chem
J-GLOBAL ID:200907042648355151   Nikkaji number:J1.185.558J

1-O-(1-O,2-O-Ditetradecanoyl-L-glycero-3-phospho)-6-O-(4-O-α-D-mannopyranosyl-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-D-myo-inositol

1-O-(1-O,2-O-ジテトラデカノイル-L-グリセロ-3-ホスホ)-6-O-(4-O-α-D-マンノピラノシル-2,6-ジアミノ-2,6-ジデオキシ-α-D-グルコピラノシル)-D-myo-イノシトール
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: C49H93N2O21P
Molecular formula furigana: C49-H93-N2-O21-P
Molecular weight: 1077.250
InChI: InChI=1S/C49H93N2O21P/c1-3-5-7-9-11-13-15-17-19-21-23-25-34(53)65-29-31(67-35(54)26-24-22-20-18-16-14-12-10-8-6-4-2)30-66-73(63,64)72-47-43(61)41(59)40(58)42(60)46(47)71-48-36(51)38(56)45(32(27-50)68-48)70-49-44(62)39(57)37(55)33(28-52)69-49/h31-33,36-49,52,55-62H,3-30,50-51H2,1-2H3,(H,63,64)/t31-,32-,33-,36-,37-,38-,39+,40-,41-,42+,43-,44+,45-,46-,47-,48-,49-/m1/s1
InChI key: PSGVJVUSQOPENZ-GAEOSSFYSA-N
SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](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](CN)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1N)OC(=O)CCCCCCCCCCCCC
Systematic name  (3):
  • 1-O-(1-O,2-O-ジテトラデカノイル-L-グリセロ-3-ホスホ)-6-O-(4-O-α-D-マンノピラノシル-2,6-ジアミノ-2,6-ジデオキシ-α-D-グルコピラノシル)-D-myo-イノシトール
  • {[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-アミノ-6-(アミノメチル)-4-ヒドロキシ-5-{[(2R,3S,4S,5S,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-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}[(2R)-2,3-ビス(テトラデカノイルオキシ)プロポキシ]ホスフィン酸
  • {[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4-hydroxy-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(tetradecanoyloxy)propoxy]phosphinic acid
Other name (1):
  • 1-O-(1-O,2-O-Ditetradecanoyl-L-glycero-3-phospho)-6-O-(4-O-α-D-mannopyranosyl-2,6-diamino-2,6-dideoxy-α-D-glucopyranosyl)-D-myo-inositol
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