D-glucitol 3-phosphate (Q27109370)

Sorbitol 3-phosphate (English)

5 October 2016

chemical formula

C₆H₁₅O₉P

1 reference

Sorbitol 3-phosphate (English)

5 October 2016

canonical SMILES

C(C(C(C(C(CO)O)OP(=O)(O)O)O)O)O

1 reference

Sorbitol 3-phosphate (English)

5 October 2016

isomeric SMILES

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

1 reference

Sorbitol 3-phosphate (English)

InChI=1S/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

Sorbitol 3-phosphate (English)

5 October 2016

2 references

Sorbitol 3-phosphate (English)

5 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

3-O-Phosphono-D-glucitol (English)

5 October 2016

2 references

Sorbitol 3-phosphate (English)

5 October 2016

ChEBI ID

21092

mapping relation type

2 references

D-glucitol 3-phosphate (English)

5 October 2016

International Chemical Identifier

InChI

InChI=1S/C6H15O9P/c7-1-3(9)5(11)6(4(10)2-8)15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5-,6-/m1/s1

1 reference

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID0075940

0 references

Human Metabolome Database ID

HMDB0062530

2 references

based on heuristic

inferred from InChIKey