1L-myo-inositol 1,2,3,4,6-pentakisphosphate (Q27108885)

(1R,2S,3s,4R,5S,6s)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis[dihydrogen (phosphate)] (English)

5 October 2016

chemical formula

C₆H₁₇O₂₁P₅

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

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

1 reference

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)

5 October 2016

isomeric SMILES

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

1 reference

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)

InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4+,5-,6+

5 October 2016

Identifiers

InChI

1 reference

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)

CTPQAXVNYGZUAJ-QWBQGLJISA-N

5 October 2016

InChIKey

2 references

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

1 reference

(1R,2S,3s,4R,5S,6s)-6-Hydroxy-1,2,3,4,5-cyclohexanepentayl pentakis[dihydrogen (phosphate)] (English)

5 October 2016

Reaxys registry number

7742493

1 reference

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)

5 October 2016

9175136

1 reference

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)

5 October 2016

ChEBI ID

11369

mapping relation type

2 references

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)

matched by identifier from

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t1-,2-,3+,4+,5-,6+

UNII

T9LY5QE9NQ

1 reference

matched by identifier from

InChIKey

CTPQAXVNYGZUAJ-QWBQGLJISA-N

1 reference

1L-myo-inositol 1,2,3,4,6-pentakisphosphate (English)