Record Information
Version1.0
StatusDetected and Quantified
Creation Date2022-05-16 20:27:38 UTC
Update Date2022-09-01 02:18:35 UTC
Metabolite IDMMDBc0051559
Metabolite Identification
Common Name3-deoxy-D-manno-2-octulosonate
Description
Structure
Synonyms
ValueSource
3-Deoxy-D-manno-2-octulosonic acidGenerator
3-Deoxy-a-D-manno-oct-2-ulosonateGenerator
3-Deoxy-a-D-manno-oct-2-ulosonic acidGenerator
3-Deoxy-alpha-D-manno-oct-2-ulosonic acidGenerator
3-Deoxy-α-D-manno-oct-2-ulosonateGenerator
3-Deoxy-α-D-manno-oct-2-ulosonic acidGenerator
Molecular FormulaC8H13O8
Average Mass237.185
Monoisotopic Mass237.061590959
IUPAC Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylate
Traditional Name(2R,4R,5R,6R)-6-[(1R)-1,2-dihydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylate
CAS Registry NumberNot Available
SMILES
[H][C@@](O)(CO)[C@@]1([H])O[C@](O)(C[C@@]([H])(O)[C@@]1([H])O)C([O-])=O
InChI Identifier
InChI=1S/C8H14O8/c9-2-4(11)6-5(12)3(10)1-8(15,16-6)7(13)14/h3-6,9-12,15H,1-2H2,(H,13,14)/p-1/t3-,4-,5-,6-,8-/m1/s1
InChI KeyNNLZBVFSCVTSLA-HXUQBWEZSA-M