MiMeDB: Showing metabocard for (+/-)-Glycerol 1,2-diacetate (MMDBc0047839)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-19 15:45:18 UTC

Update Date

2024-10-17 15:09:05 UTC

Metabolite ID

MMDBc0047839

Metabolite Identification

Common Name

(+/-)-Glycerol 1,2-diacetate

Description

(±)-Glycerol 1,2-diacetate is a solvent; used for decaffeinating coffe

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(±)-glycerol 1,2-diacetic acid	Generator
1,2-Diacylglycerol	MeSH
1,2,3-Propanetriol, 1,2-diacetate	HMDB
1,2-Diacetin	HMDB
1,2-Diacetylglycerol	HMDB
Glycerol 1,2-diacetate	HMDB

Molecular Formula

C₇H₁₂O₅

Average Mass

176.1672

Monoisotopic Mass

176.068473494

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C7H12O5/c1-5(9)11-4-7(3-8)12-6(2)10/h7-8H,3-4H2,1-2H3

InChI Key

UXDDRFCJKNROTO-UHFFFAOYSA-N

Chemical Taxonomy

Functional Ontology

Physical Properties

Spectra

Biological Properties

Human Proteins and Enzymes

Human Pathways

Metabolic Reactions

Health Effects and Bioactivity

Microbial Sources

Exposure Sources

Host Biospecimen and Location

External Links

References

Showing metabocard for (+/-)-Glycerol 1,2-diacetate (MMDBc0047839)

MOL for #<Metabolite:0x00007fb7ed3b42d0>

3D MOL for #<Metabolite:0x00007fb7ed3b42d0>

3D SDF for #<Metabolite:0x00007fb7ed3b42d0>

3D-SDF for #<Metabolite:0x00007fb7ed3b42d0>

PDB for #<Metabolite:0x00007fb7ed3b42d0>

3D PDB for #<Metabolite:0x00007fb7ed3b42d0>

SMILES for #<Metabolite:0x00007fb7ed3b42d0>

INCHI for #<Metabolite:0x00007fb7ed3b42d0>

Structure for #<Metabolite:0x00007fb7ed3b42d0>

3D Structure for #<Metabolite:0x00007fb7ed3b42d0>