(Q27104796)

CHEBI:52426 (English)

6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion

5 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

tautomer of

6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion

1 reference

stated in

ChEBI release 2021-03-01

chemical formula

C₁₂H₂₂NO₁₂P

1 reference

CHEBI:52426 (English)

5 October 2016

canonical SMILES

C(C1C(C(C(C(O1)OC2C(C(C(C3C2OP(=O)(O3)O)O)O)O)N)O)O)O

1 reference

CHEBI:52426 (English)

5 October 2016

isomeric SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@@H]([C@H]([C@@H]3[C@H]2OP(=O)(O3)O)O)O)O)N)O)O)O

1 reference

CHEBI:52426 (English)

InChI=1S/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)/t2-,3-,4-,5-,6+,7+,8-,9-,10-,11+,12-/m1/s1

5 October 2016

Identifiers

InChI

1 reference

CHEBI:52426 (English)

5 October 2016

1 reference

CHEBI:52426 (English)

5 October 2016

2 references

6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (English)

5 October 2016

https://commonchemistry.cas.org/detail?cas_rn=140391-24-8

8 April 2021

1 reference

(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-Tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-alpha-D-glucopyranoside (English)

5 October 2016

1 reference

CHEBI:52426 (English)

5 October 2016

ChEBI ID

52426

mapping relation type

3 references

6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (English)

5 October 2016

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)/t2-,3-,4-,5-,6+,7+,8-,9-,10-,11+,12-/m1/s1

58891

mapping relation type

exact match

1 reference

International Chemical Identifier

InChI

InChI=1S/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)/t2-,3-,4-,5-,6+,7+,8-,9-,10-,11+,12-/m1/s1

1 reference

1 reference

DSSTOX compound identifier

DTXCID301359500

0 references

UNII

VXL4AB5HJ7

1 reference

1 reference

Immune Epitope Database and Analysis Resource

6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (English)

5 October 2016

1 reference

IEDB Epitope ID

140426