Chem
J-GLOBAL ID：201007042830696518   Nikkaji number：J2.846.234D

L-myo-Inositol 1,3,5-trisphosphoric acid 3-[(2R)-2,3-bis(octanoyloxy)propyl] ester

L-myo-イノシトール1,3,5-トリスりん酸3-[(2R)-2,3-ビス(オクタノイルオキシ)プロピル]
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： 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)44-25-21(29)23(42-45(31,32)33)20(28)24(22(25)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： QXHVLVSULWMTCV-ZDGCRICYSA-N
SMILES： CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O)OC(=O)CCCCCCC
Systematic name  (3)：
  • L-myo-イノシトール1,3,5-トリスりん酸3-[(2R)-2,3-ビス(オクタノイルオキシ)プロピル]
  • {[(1R,2S,4S,5S,6S)-3-({[(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)-2,4,6-トリヒドロキシ-5-(ホスホノオキシ)シクロヘキシル]オキシ}ホスホン酸
  • {[(1R,2S,4S,5S,6S)-3-({[(2R)-2,3-bis(octanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2,4,6-trihydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (1)：
  • L-myo-Inositol 1,3,5-trisphosphoric acid 3-[(2R)-2,3-bis(octanoyloxy)propyl] ester
Thsaurus map：
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