Chem
J-GLOBAL ID：200907053244415810   Nikkaji number：J1.199.257I

1-O-(1-O,2-O-Dioctanoyl-L-glycero-3-phospho)-D-myo-inositol 4,5-bisphosphoric acid

1-O-(1-O,2-O-ジオクタノイル-L-グリセロ-3-ホスホ)-D-myo-イノシトール4,5-ビスりん酸
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： C25H49O19P3
Molecular formula furigana： C25-H49-O19-P3
Molecular weight： 746.569
InChI： InChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21+,22+,23-,24-,25-/m1/s1
InChI key： XLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES： CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCC
Systematic name  (4)：
  • 1-O-(1-O,2-O-ジオクタノイル-L-グリセロ-3-ホスホ)-D-myo-イノシトール4,5-ビス(りん酸)
  • 1-O-(1-O,2-O-ジオクタノイル-L-グリセロ-3-ホスホ)-D-myo-イノシトール4,5-ビスりん酸
  • {[(1R,2S,3R,4R,5S,6R)-4-({[(2R)-2,3-ビス(オクタノイルオキシ)プロポキシ](ヒドロキシ)ホスホリル}オキシ)-2,3,5-トリヒドロキシ-6-(ホスホノオキシ)シクロヘキシル]オキシ}ホスホン酸
  • {[(1R,2S,3R,4R,5S,6R)-4-({[(2R)-2,3-bis(octanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,3,5-trihydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (2)：
  • 1-O-(1-O,2-O-Dioctanoyl-L-glycero-3-phospho)-D-myo-inositol 4,5-bis(phosphoric acid)
  • 1-O-(1-O,2-O-Dioctanoyl-L-glycero-3-phospho)-D-myo-inositol 4,5-bisphosphoric acid
Thsaurus map：
Thesaurus Map

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