Home
search mVOC
Features / Tools
mVOC Literature
Help
Search mVOCs
Search mass spectra
Search emitter/receiver of discrete mVOCs
Browse mVOC
FAQ
Contact
Links
Statistics
Examples to analyse db entries
Add new mVOCs
Signatures
KEGG Pathways
Results for:
PubChem ID: 1548907
(2S)-2-azaniumyl-4-methylsulfinylbutanoate
Compound Details
Synonymous names
L-methionine S-oxide
L-methionine-S-sulfoxide
Microorganism:
Yes
IUPAC name
(2S)-2-azaniumyl-4-methylsulfinylbutanoate
SMILES
CS(=O)CCC(C(=O)[O-])[NH3+]
Inchi
InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10?/m0/s1
Formula
C
5
H
1
1
NO
3
S
PubChem ID
1548907
Molweight
165.21
LogP
-3.3
Atoms
10
Bonds
3
H-bond Acceptor
4
H-bond Donor
1
Chemical Classification
organic acids
sulfur compounds
carboxylic acids
amines
nitrogen compounds
CHEBI-ID
17016
Supernatural-ID
SN0303000-04
mVOC Specific Details
Species emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Prokaryota
Bacteroides Thetaiotaomicron
NA
NA
Bryant et al. 2017
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Prokaryota
Bacteroides Thetaiotaomicron
Brain Heart Infusion medium with 0.001% hemin
RP/UPLC-MS/MS (ESI+) (-ESI)
no