EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:52426 - 6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate

ChEBI IDCHEBI:52426
ChEBI Name6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate
Stars
ASCII Name6-(alpha-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate
DefinitionA myo-inositol cyclic phosphate that is 1D-myo-inositol 1,2-cyclic phosphate having an α-D-glucosaminyl residue attached at the 6-position.
Secondary ChEBI IDsCHEBI:12192, CHEBI:52420
Last Modified23 August 2016
SubmitterKristian Axelsen, Marcus Ennis
DownloadsMolfile
FormulaC12H22NO12P
Net Charge0
Average Mass403.277
Monoisotopic Mass403.08796
SMILESN[C@H]1[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H]3OP(=O)(O)O[C@H]32)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyZULNQPCZALKHMF-LBZOJLJLSA-N
Roles Classification
Biological Roles:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (CHEBI:52426) has role epitope (CHEBI:53000)
6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (CHEBI:52426) is a myo-inositol cyclic phosphate (CHEBI:25444)
6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (CHEBI:52426) is a D-glucosaminide (CHEBI:35373)
6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (CHEBI:52426) is a monosaccharide derivative (CHEBI:63367)
6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (CHEBI:52426) is tautomer of 6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion (CHEBI:58891)
Incoming Relation(s)
6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate zwitterion (CHEBI:58891) is tautomer of 6-(α-D-glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphate (CHEBI:52426)
IUPAC Name 
6-O-(2-amino-2-deoxy-β-D-glucopyranosyl)-1D-myo-inositol 1,2-(hydrogen phosphate)
Synonyms  Source
(3aS,4R,5S,6S,7R,7aR)-2,5,6,7-tetrahydroxy-2-oxidohexahydro-1,3,2-benzodioxaphosphol-4-yl 2-amino-2-deoxy-α-D-glucopyranosideIUPAC
6-(alpha-D-Glucosaminyl)-1D-myo-inositol 1,2-cyclic phosphateKEGG COMPOUND
Manual XrefsDatabases
C16070KEGG COMPOUND
C16070KEGG COMPOUND
Registry NumbersSources
Reaxys:5458640Reaxys
CAS:140391-24-8SUBMITTER
CAS:140391-24-8KEGG COMPOUND
Citations