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N-Formyl-L-glutamic acid

HCID 439376
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Basic information

CAS
1681-96-5
Standard SMILES
O=CN[C@@H](CCC(=O)O)C(=O)O
InChIKey
ADZLWSMFHHHOBV-BYPYZUCNSA-N
Molecular formula
C6H9NO5
Average molar mass
175.14 g/mol
Monoisotopic mass
175.04807239

Overview

N-formyl-L-glutamic acid is a N-acyl-L-glutamic acid and a N-formyl amino acid. It has a role as a mouse metabolite. It is a conjugate acid of a N-formyl-L-glutamate(2-).

Names & identifiers

Preferred name
N-Formyl-L-glutamic acid
IUPAC
(2S)-2-formamidopentanedioic acid
English name
N-formyl-L-glutamic acid
Molecular formula
C6H9NO5
Molecular weight
175.14

Names & synonyms

N-Formyl-L-glutamic acid(2S)-2-formamidopentanedioic acid1681-96-5N-FormylglutamateCHEBI:48309DTXSID80168490RefChem:927162DTXCID3090981216-861-2N-Formyl-L-glutamateFormylglutamic acid(2S)-2-(formylamino)pentanedioic acid
Show more names
Einecs 216-861-2L-Glutamic acid, N-formyl-
(2S)-2-formamidopentanedioate(2S)-2-(formylamino)pentanedioateSCHEMBL702004ADZLWSMFHHHOBV-BYPYZUCNSA-NAKOS010389173DB-009098NS00046089C01045

Database identifiers

CAS
1681-96-5
PubChem CID
439376
DTXSID
DTXSID80168490
ChEBI
CHEBI:48309
EC Number
216-861-2
Nikkaji
J195.329J

Properties

Computed structural properties

XLogP
-1
Topological polar surface area
104 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
12
Formal charge
0
Complexity
190

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Melting point
133 · 133-135 °C
Boiling point
504.8 · 504.8±40.0 °C(Predicted)
Density
1.419 · 1.419±0.06 g/cm3(Predicted)
pka
3.32 · 3.32±0.10(Predicted)

Chemistry & industry

Pharmacology

Metabolite PathwaysFolate malabsorption, hereditary

Additional notes

DefinitionChEBI: N-formyl-L-glutamic acid is a N-acyl-L-glutamic acid and a N-formyl amino acid. It has a role as a mouse metabolite. It is a conjugate acid of a N-formyl-L-glutamate(2-).

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