Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-05-16 20:27:35 UTC
Update Date2022-09-01 02:18:34 UTC
Metabolite IDMMDBc0051557
Metabolite Identification
Common Name3-Dehydro-D-glucose 6-phosphate
Description
Structure
Synonyms
ValueSource
3-Keto-D-glucose-6-phosphateChEBI
3-oxo-D-Glucose-6-phosphateChEBI
D-Ribo-hexopyranos-3-ulose-6-phosphateChEBI
3-Keto-D-glucose-6-phosphoric acidGenerator
3-oxo-D-Glucose-6-phosphoric acidGenerator
D-Ribo-hexopyranos-3-ulose-6-phosphoric acidGenerator
3-Dehydro-D-glucose-6-phosphoric acidGenerator
Molecular FormulaC6H11O9P
Average Mass258.119
Monoisotopic Mass258.014068932
IUPAC Name{[(2R,3R,5S)-3,5,6-trihydroxy-4-oxooxan-2-yl]methoxy}phosphonic acid
Traditional Name[(2R,3R,5S)-3,5,6-trihydroxy-4-oxooxan-2-yl]methoxyphosphonic acid
CAS Registry NumberNot Available
SMILES
OC1O[C@H](COP(O)(O)=O)[C@@H](O)C(=O)[C@H]1O
InChI Identifier
InChI=1S/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-3,5-7,9-10H,1H2,(H2,11,12,13)/t2-,3-,5-,6?/m1/s1
InChI KeyXTCSSQUVVLDALS-KCLVSGOISA-N