(Q27145862)

(1R,2S,3S,4S,5S,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexanediyl bis(phosphate) (English)

8 October 2016

chemical formula

C₆H₁₀O₁₂P₂⁴⁻

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C1(C(C(C(C(C1(O)[H])(OP([O-])([O-])=O)[H])(O)[H])(OP([O-])([O-])=O)[H])(O)[H])(O)[H]

1 reference

1D-myo-inositol 3,5-bisphosphate(4-) (English)

8 October 2016

isomeric SMILES

[C@]1([C@@]([C@]([C@@]([C@]([C@]1(O)[H])(OP([O-])([O-])=O)[H])(O)[H])(OP([O-])([O-])=O)[H])(O)[H])(O)[H]

1 reference

1D-myo-inositol 3,5-bisphosphate(4-) (English)

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)/p-4/t1-,2-,3-,4-,5+,6-/m0/s1

8 October 2016

Identifiers

InChI

1 reference

1D-myo-inositol 3,5-bisphosphate(4-) (English)

PUVHMWJJTITUGO-ZSIQDKGESA-J

8 October 2016

InChIKey

2 references

1D-myo-inositol 3,5-bisphosphate(4-) (English)

8 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,2S,3S,4S,5S,6S)-2,4,5,6-Tetrahydroxy-1,3-cyclohexanediyl bis(phosphate) (English)

8 October 2016

Reaxys registry number

4301321

1 reference

1D-myo-inositol 3,5-bisphosphate(4-) (English)

8 October 2016

ChEBI ID

76296

mapping relation type

2 references

1D-myo-inositol 3,5-bisphosphate(4-) (English)