Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:41:50 UTC
Update Date2022-08-31 17:17:14 UTC
Metabolite IDMMDBc0029792
Metabolite Identification
Common Name2-C-Methyl-D-erythritol-2,4-cyclodiphosphate
Description2-c-methyl-D-erythritol-2,4-cyclodiphosphate is a member of the chemical class known as Organic Pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.
Structure
Synonyms
ValueSource
2-C-Methyl-D-erythritol 2,4-cyclic diphosphateChEBI
2-C-Methyl-D-erythritol 2,4-cyclic diphosphate dianionChEBI
2-C-Methyl-D-erythritol 2,4-cyclic diphosphoric acidGenerator
2-C-Methyl-D-erythritol 2,4-cyclic diphosphoric acid dianionGenerator
2-C-Methyl-D-erythritol-2,4-cyclodiphosphoric acidGenerator
Molecular FormulaC5H10O9P2
Average Mass276.075
Monoisotopic Mass275.980004942
IUPAC Name(6S,7R)-7-hydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocane-2,4-bis(olate)
Traditional Name(6S,7R)-7-hydroxy-6-(hydroxymethyl)-6-methyl-2,4-dioxo-1,3,5,2lambda5,4lambda5-trioxadiphosphocane-2,4-bis(olate)
CAS Registry Number143488-44-2
SMILES
[H][C@@]1(O)COP([O-])(=O)OP([O-])(=O)O[C@@]1(C)CO
InChI Identifier
InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/p-2/t4-,5+/m1/s1
InChI KeySFRQRNJMIIUYDI-UHNVWZDZSA-L