Chem
J-GLOBAL ID：200907020904249328   Nikkaji number：J2.754.547E

Lipid A disaccharide

6-O-[2-(3-ヒドロキシテトラデカノイルアミノ)-3-O-(3-ヒドロキシテトラデカノイル)-2-デオキシ-β-D-グルコピラノシル]-N,3-O-ビス(3-ヒドロキシテトラデカノイル)-β-D-グルコサミン1-りん酸
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： C68H129N2O20P
Molecular formula furigana： C68-H129-N2-O20-P
Molecular weight： 1325.748
InChI： InChI=1S/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)44-40-36-32-28-24-20-16-12-8-4)62(68(87-56)90-91(82,83)84)70-58(77)46-52(73)42-38-34-30-26-22-18-14-10-6-2/h51-56,61-68,71-75,80-81H,5-50H2,1-4H3,(H,69,76)(H,70,77)(H2,82,83,84)/t51?,52?,53?,54?,55-,56-,61-,62-,63-,64-,65-,66-,67-,68+/m1/s1
InChI key： HLDJGHAAKRKPAV-XFXUPMIZSA-N
SMILES： CCCCCCCCCCCC(O)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@@H](OP(=O)(O)O)[C@H](NC(=O)CC(O)CCCCCCCCCCC)[C@@H](OC(=O)CC(O)CCCCCCCCCCC)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1OC(=O)CC(O)CCCCCCCCCCC
Systematic name  (3)：
  • 6-O-[2-(3-ヒドロキシテトラデカノイルアミノ)-3-O-(3-ヒドロキシテトラデカノイル)-2-デオキシ-β-D-グルコピラノシル]-N,3-O-ビス(3-ヒドロキシテトラデカノイル)-β-D-グルコサミン1-りん酸
  • {[(2S,3R,4R,5S,6R)-5-ヒドロキシ-6-({[(2R,3R,4R,5S,6R)-5-ヒドロキシ-6-(ヒドロキシメチル)-3-(3-ヒドロキシテトラデカンアミド)-4-[(3-ヒドロキシテトラデカノイル)オキシ]オキサン-2-イル]オキシ}メチル)-3-(3-ヒドロキシテトラデカンアミド)-4-[(3-ヒドロキシテトラデカノイル)オキシ]オキサン-2-イル]オキシ}ホスホン酸
  • {[(2S,3R,4R,5S,6R)-5-hydroxy-6-({[(2R,3R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-3-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]oxan-2-yl]oxy}methyl)-3-(3-hydroxytetradecanamido)-4-[(3-hydroxytetradecanoyl)oxy]oxan-2-yl]oxy}phosphonic acid
Other name (6)：
  • 6-O-[2-(3-Hydroxytetradecanoylamino)-3-O-(3-hydroxytetradecanoyl)-2-deoxy-β-D-glucopyranosyl]-N,3-O-bis(3-hydroxytetradecanoyl)-β-D-glucosamine 1-phosphoric acid
  • 2,3,2′,3′-Tetrakis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-glucosamine 1-phosphate
  • 2,3-Bis(3-hydroxytetradecanoyl)-D-glucosaminyl-1,6-beta-D-2,3-bis(3-hydroxytetradecanoyl)-beta-D-glucosaminyl 1-phosphate
  • 2,3-Bis-(beta-hydroxymyristoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(beta-hydroxymyristoyl)-D-glucosaminyl beta-phosphate
  • 2,3-Bis-(3-hydroxytetradecanoyl)-D-glucosaminyl-(beta-D-1,6)-2,3-bis(3-hydroxy-tetradecanoyl)-D-glucosaminyl beta-phosphate
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KEGG COMPOUND： C04932
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