Chem
J-GLOBAL ID：200907032103770032   Nikkaji number：J447.870C

Inositol 1,3-bisphosphate

イノシトール1,3-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： C6H14O12P2
Molecular formula furigana： C6-H14-O12-P2
Molecular weight： 340.114
InChI： InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3+,4+,5+,6-
InChI key： PUVHMWJJTITUGO-FICORBCRSA-N
SMILES： O[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O
Systematic name  (3)：
  • myo-イノシトール1,3-ビスりん酸
  • {[(1R,2S,3s,4R,5S,6s)-2,3,4,6-テトラヒドロキシ-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,3s,4R,5S,6s)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
Other name (3)：
  • イノシトール1,3-ビスりん酸
  • Inositol 1,3-bisphosphate
  • myo-Inositol 1,3-bisphosphoric acid
CAS registry number： 103597-56-4
KEGG COMPOUND： C04062
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