N-gamma-L-Glutamyl-L-methionine
PubChem CID
13894652
Structure
Molecular Formula
Synonyms
- N-gamma-Glutamylmethionine
- SCHEMBL237466
- N-gamma-L-Glutamyl-L-methionine
- CHEBI:157877
- 2-amino-4-{[1-carboxy-3-(methylsulfanyl)propyl]carbamoyl}butanoic acid
Molecular Weight
278.33 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2007-02-08
- Modify:2025-01-18
Description
N-gamma-Glutamylmethionine is a dipeptide.
Chemical Structure Depiction
SVG Image
IUPAC Condensed
H-DL-gGlu-DL-Met-OH
Sequence
XM
HELM
PEPTIDE1{[*C(=O)CCC(C(=O)O)N |$_R2;;;;;;;;;$|].(M,[dM])}$$$$V2.0
IUPAC
DL-gamma-glutamyl-DL-methionine
2-amino-5-[(1-carboxy-3-methylsulfanylpropyl)amino]-5-oxopentanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H18N2O5S/c1-18-5-4-7(10(16)17)12-8(13)3-2-6(11)9(14)15/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)(H,16,17)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
RQNSKRXMANOPQY-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CSCCC(C(=O)O)NC(=O)CCC(C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H18N2O5S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
278.33 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-3.1
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
4
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
9
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
278.09364285 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
278.09364285 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
155 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
18
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
311
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
2
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
Accession ID
Authors
Evans A M, Mitchell M, DeHaven C D, Barrett T, Milgram E, Metabolon Inc.
Instrument
LTQ XL, Thermo Finnigan
Instrument Type
LC-ESI-IT
MS Level
MS2
Ionization Mode
POSITIVE
Ionization
ESI
Collision Energy
40
Precursor m/z
279.1
Precursor Adduct
[M+H]+
Top 5 Peaks
150.1 999
204.9 462
133.1 236
149.1 207
262.1 99
License
CC BY-NC-ND
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Same Connectivity Count
Same Parent, Connectivity Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- ChEBIN-gamma-Glutamylmethioninehttps://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:157877
- FooDBLICENSEFooDB is offered to the public as a freely available resource. Use and re-distribution of the data, in whole or in part, for commercial purposes requires explicit permission of the authors and explicit acknowledgment of the source material (FooDB) and the original publication.https://foodb.ca/aboutN-gamma-L-Glutamyl-L-methioninehttps://foodb.ca/compounds/FDB012741
- MassBank Europegamma-Glutamylmethioninehttps://massbank.eu/MassBank/Result.jsp?inchikey=RQNSKRXMANOPQY-BQBZGAKWSA-N
- Metabolomics WorkbenchN-gamma-L-Glutamyl-L-methioninehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=46505
- WikidataN-gamma-Glutamylmethioninehttps://www.wikidata.org/wiki/Q106026492
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
CONTENTS