3-Bromo-2-ketoglutarate

HCID 195934CAS 76444-16-1
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)CC(Br)C(=O)C(=O)O
InChIKey
QFGLEMGINFKMPT-UHFFFAOYSA-N
Molecular formula
C5H5BrO5
Average molar mass
224.99 g/mol
Monoisotopic mass
223.93203536

Overview

active site reagent for NADP+ dependent isocitrate dehydrogenase

Names & identifiers

Preferred name
3-Bromo-2-ketoglutarate
IUPAC
3-bromo-2-oxopentanedioic acid
English name
3-bromo-2-ketoglutarate
Molecular weight
0

Names & synonyms

Bromoketoglutarate76444-16-13-Bromo-2-ketoglutaratePentanedioic acid, 3-bromo-2-oxo-, (+-)-RefChem:931273-bromo-2-oxopentanedioic acid89469-94-3bromoketoglutaric acid3-bromo-2-oxoglutaric acidSCHEMBL2888895DTXSID30997833QFGLEMGINFKMPT-UHFFFAOYSA-N

Database identifiers

CAS
76444-16-1
PubChem CID
195934
DTXSID
DTXSID30997833

Properties

Computed structural properties

XLogP
0
Topological polar surface area
91.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
11

Related reactions

5 records
New reaction record

Linked notes

Loading…