CHEBI:18283 - α,α-trehalose 6-phosphate

ChEBI IDCHEBI:18283
ChEBI Nameα,α-trehalose 6-phosphate
Stars
ASCII Namealpha,alpha-trehalose 6-phosphate
Secondary ChEBI IDsCHEBI:10201, CHEBI:12285, CHEBI:15252, CHEBI:22364
Last Modified25 January 2016
DownloadsMolfile
FormulaC12H23O14P
Net Charge0
Average Mass422.276
Monoisotopic Mass422.08254
SMILESO=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
InChIKeyLABSPYBHMPDTEL-LIZSDCNHSA-N
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
α,α-trehalose 6-phosphate (CHEBI:18283) has functional parent α,α-trehalose (CHEBI:16551)
α,α-trehalose 6-phosphate (CHEBI:18283) has role Escherichia coli metabolite (CHEBI:76971)
α,α-trehalose 6-phosphate (CHEBI:18283) is a trehalose phosphate (CHEBI:27084)
α,α-trehalose 6-phosphate (CHEBI:18283) is conjugate acid of α,α-trehalose 6-phosphate(2−) (CHEBI:58429)
Incoming Relation(s)
α,α-trehalose 6-phosphate(2−) (CHEBI:58429) is conjugate base of α,α-trehalose 6-phosphate (CHEBI:18283)
IUPAC Name 
α-D-glucopyranosyl 6-O-phosphono-α-D-glucopyranoside
Synonyms  Source
alpha,alpha'-Trehalose 6-phosphateKEGG COMPOUND
Trehalose 6-phosphateKEGG COMPOUND
α-D-glucopyranosyl α-D-glucopyranoside 6-(dihydrogen phosphate)ChemIDplus
Manual XrefsDatabases
C00007451KNApSAcK
C00689KEGG COMPOUND
DB02430DrugBank
G09795KEGG GLYCAN
Registry NumbersSources
Beilstein:59815Beilstein
CAS:4484-88-2KEGG COMPOUND
CAS:4484-88-2ChemIDplus