S-Methylcysteine sulfoxide
PubChem CID
82142
Structure
Molecular Formula
Synonyms
- S-Methylcysteine sulfoxide
- 2-amino-3-methylsulfinylpropanoic acid
- Methiin
- 4740-94-7
- Methyiin, pyrolyzate
Molecular Weight
151.19 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-03-26
- Modify:2025-01-18
Description
Methiin is an alpha-amino acid.
S-Methylcysteine sulfoxide has been reported in Allium sativum with data available.
Chemical Structure Depiction
2-amino-3-methylsulfinylpropanoic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C4H9NO3S/c1-9(8)2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
ZZLHPCSGGOGHFW-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
CS(=O)CC(C(=O)O)N
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C4H9NO3S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
6853-87-8
4740-94-7
32726-14-0
- kale anemia factor
- methiin
- methiin, (DL-Ala)-isomer
- methiin, (L-Ala)-(R)-isomer
- methiin, (L-Ala)-(S)-isomer
- methiin, (L-Ala)-isomer
- S-methyl-L-cysteinesulfoxide
- S-methylcysteine sulfoxide
- S-Methylcysteine sulfoxide
- 2-amino-3-methylsulfinylpropanoic acid
- Methiin
- 4740-94-7
- Methyiin, pyrolyzate
- (S)C(S)S-S-Methylcysteine sulfoxide
- Alanine, 3-(methylsulfinyl)- (6CI,8CI,9CI)
- S-Methylcysteine S-oxide
- S-Methyl-L-Cysteine-S-oxide
- L-Alanine, 3-(methylsulfinyl)-
- NSC-226572
- S-Methylcystein-S-oxid
- 3-(Methanesulfinyl)alanine
- SCHEMBL7872161
- DTXSID70963830
- CHEBI:137271
- ZZLHPCSGGOGHFW-UHFFFAOYSA-N
- NSC226572
- AKOS014777717
- NS00018365
- 2-AMINO-3-METHANESULFINYLPROPANOIC ACID
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
151.19 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
-4.3
Reference
Computed by XLogP3 3.0 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Donor Count
Property Value
2
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
5
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
151.03031432 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
151.03031432 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
99.6 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
9
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
136
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)
Solid
163 °C
Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see here for details), but these live search links provide equivalent functionality to the table that was previously shown here.
Same Connectivity Count
Same Isotope Count
Same Parent, Connectivity Count
Same Parent, Isotope Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- Cytoplasm
- Extracellular
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=ZZLHPCSGGOGHFW-UHFFFAOYSA-N
The LOTUS Initiative for Open Natural Products Research: frozen dataset union wikidata (with metadata) | DOI:10.5281/zenodo.5794106
- ChEBI
- LOTUS - the natural products occurrence databaseLICENSEThe code for LOTUS is released under the GNU General Public License v3.0.https://lotus.nprod.net/S-Methylcysteine sulfoxidehttps://www.wikidata.org/wiki/Q82945739LOTUS Treehttps://lotus.naturalproducts.net/
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSTox3-(Methanesulfinyl)alaninehttps://comptox.epa.gov/dashboard/DTXSID70963830CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Human Metabolome Database (HMDB)LICENSEHMDB 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 (HMDB) and the original publication (see the HMDB citing page). We ask that users who download significant portions of the database cite the HMDB paper in any resulting publications.http://www.hmdb.ca/citing(S)C(S)S-S-Methylcysteine sulfoxidehttp://www.hmdb.ca/metabolites/HMDB0029432
- Japan Chemical Substance Dictionary (Nikkaji)
- Natural Product Activity and Species Source (NPASS)
- Metabolomics Workbench(S)C(S)S-S-Methylcysteine sulfoxidehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43838S-Methylcysteine S-oxidehttps://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=78543
- Springer Nature
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidata3-(methanesulfinyl)alaninehttps://www.wikidata.org/wiki/Q82945739
- WikipediaS-Methylcysteine sulfoxidehttps://en.wikipedia.org/wiki/S-Methylcysteine_sulfoxide
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.html
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 394581695https://pubchem.ncbi.nlm.nih.gov/substance/394581695
CONTENTS