myo-inositol 1,3,4,5,6-pentakisphosphoric acid (Q27101851)

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

19 October 2016

chemical formula

C₆H₁₇O₂₁P₅

1 reference

RCSB protein data bank

PDB ligand ID

5MY

16 February 2021

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

myo-inositol 1,3,4,5,6-pentakisphosphate (English)

19 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

myo-inositol 1,3,4,5,6-pentakisphosphate (English)

19 October 2016

found in taxon

Ascochyta medicaginicola

1 reference

Time-course metabolic profiling in alfalfa leaves under Phoma medicaginis infection

Homo sapiens

1 reference

A community-driven global reconstruction of human metabolism.

1 reference

https://plantreactome.gramene.org/PathwayBrowser/#/R-OSA-2744345&DTAB=MT

different from

myo-inositol 1,3,4,5,6-pentakisphosphate(10−)

0 references

Identifiers

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+

1 reference

myo-inositol 1,3,4,5,6-pentakisphosphate (English)

CTPQAXVNYGZUAJ-KXXVROSKSA-N

19 October 2016

InChIKey

2 references

myo-inositol 1,3,4,5,6-pentakisphosphate (English)

19 October 2016

CTPQAXVNYGZUAJ-KXXVROSKSA-N

ChEBI release 2020-09-01

CAS Registry Number

20298-95-7

1 reference

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=20298-95-7

1 reference

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

19 October 2016

0 references

mapping relation type

1 reference

Human Metabolome Database ID

myo-inositol 1,3,4,5,6-pentakisphosphate (English)

19 October 2016

1 reference

1 reference

HMDB0003529

1 reference

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00053344

1 reference

based on heuristic

inferred from InChIKey

0 references

0 references

0 references

0 references

Microsoft Academic ID

0 references

1 reference

2XAO (English)

19 October 2016

1 reference

2XAN (English)

19 October 2016

1 reference

4O4E (English)

19 October 2016

1 reference

3UDT (English)