1D-myo-inositol 3,4-bisphosphate (Q27103929)

Inositol 3,4-bisphosphate (English)

5 October 2016

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₆H₁₄O₁₂P₂

1 reference

Inositol 3,4-bisphosphate (English)

5 October 2016

canonical SMILES

C1(C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)O

1 reference

Inositol 3,4-bisphosphate (English)

5 October 2016

isomeric SMILES

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

1 reference

Recon 2.2: from reconstruction to model of human metabolism

Inositol 3,4-bisphosphate (English)

5 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

1 reference

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

Identifiers

InChI

InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1

1 reference

Inositol 3,4-bisphosphate (English)

MCKAJXMRULSUKI-CNWJWELYSA-N

5 October 2016

InChIKey

2 references

Inositol 3,4-bisphosphate (English)

CAS (formerly Chemical Abstracts Service)

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

69256-53-7

1 reference

stated in

25 January 2022

1 reference

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

5 October 2016

1 reference

Inositol 3,4-bisphosphate (English)

5 October 2016

ChEBI ID

28858

mapping relation type

1 reference