myo-inositol 1,3-bisphosphate (Q27096362)

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

19 October 2016

chemical formula

C₆H₁₄O₁₂P₂

0 references

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

myo-inositol 1,3-bisphosphate (English)

19 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

A community-driven global reconstruction of human metabolism.

myo-inositol 1,3-bisphosphate (English)

19 October 2016

1 reference

1 reference

https://reactome.org/PathwayBrowser/#/R-HSA-1430728&DTAB=MT

Identifiers

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-

1 reference

myo-inositol 1,3-bisphosphate (English)

19 October 2016

2 references

myo-inositol 1,3-bisphosphate (English)

https://commonchemistry.cas.org/detail?cas_rn=103597-56-4

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

6 April 2021

1 reference

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

19 October 2016

ChEBI ID

18225

mapping relation type

2 references

myo-inositol 1,3-bisphosphate (English)

matched by identifier from

19 October 2016

International Chemical Identifier

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-

1 reference

Inositol 1,3-Bisphosphate (English)

matched by identifier from

4 October 2016

02942

1 reference

Human Metabolome Database ID

HMDB0006234

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

0 references

0 references

0 references

1 reference

1HYI (English)

19 October 2016

1 reference

1JOC (English)

19 October 2016

1 reference

4AVX (English)