(Q27104114)

4-diphospho-1D-myo-inositol pentakisphosphate

inferred from SMILES

1 reference

3-diphospho-1D-myo-inositol 1,2,4,5,6-pentakisphosphate

inferred from SMILES

1 reference

inferred from SMILES

mass

739.8277±0 dalton

1 reference

CHEMBL1241856 (English)

19 October 2016

chemical formula

C₆H₁₉O₂₇P₇

0 references

canonical SMILES

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

1 reference

5-diphospho-1D-myo-inositol 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)OP(O)(O)=O)[H])(OP(O)(O)=O)[H])(OP(O)(O)=O)[H])(OP(O)(O)=O)[H]

1 reference

Recon 2.2: from reconstruction to model of human metabolism

5-diphospho-1D-myo-inositol pentakisphosphate (English)

19 October 2016

2 references

stated in

A community-driven global reconstruction of human metabolism.

Identifiers

InChI

InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2+,3-,4-,5+,6+

1 reference

5-diphospho-1D-myo-inositol pentakisphosphate (English)

UPHPWXPNZIOZJL-KXXVROSKSA-N

19 October 2016

InChIKey

2 references

5-diphospho-1D-myo-inositol pentakisphosphate (English)

19 October 2016

stated in

ChEBI release 2020-09-01

1 reference

5-diphospho-1D-myo-inositol pentakisphosphate (English)

19 October 2016

Reaxys registry number

7970481

1 reference

5-diphospho-1D-myo-inositol pentakisphosphate (English)

19 October 2016

ChEBI ID

30164

mapping relation type

1 reference

5-diphospho-1D-myo-inositol pentakisphosphate (English)

19 October 2016

1 reference

CHEMBL1241856 (English)

Human Metabolome Database ID

19 October 2016

HMDB0006229

1 reference

inferred from InChIKey

0 references

1 reference

3T9D (English)

19 October 2016

1 reference

3T9E (English)