Search MNXref
 Feedback

2-Oxo-9-methylthiononanoic acid

PropertiesImage
MNX_IDMNXM3822 Image of MNXM3822
referencechebi:80974
formulaC10H18O3S
global charge0
mol weight218.318
InChIKeyMJGXIOUQXYXGLP-UHFFFAOYSA-N
InChIInChI=1S/C10H18O3S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h2-8H2,1H3,(H,12,13)
SMILESCSCCCCCCCC(=O)C(=O)O
MNX internals
InChI (mnx)InChI=1/C10H18O3S/c1-14-8-6-4-2-3-5-7-9(11)10(12)13/h2-8H2,1H3,(H,12,13) Image of MNXM3822
SMILES (mnx)[CH3:1][S:14][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][C:9]([C:10]([OH:12])=[O:13])=[O:11]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)9
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80974
chebi:80974
kegg.compound:C17228
keggC:C17228
MJGXIOUQXYXGLP-UHFFFAOYSA-N 		2-Oxo-9-methylthiononanoic acid
9-Methylthio-2-nonanoic acid

CHEBI:188603
chebi:188603
MJGXIOUQXYXGLP-UHFFFAOYSA-M 		9-(Methylsulfanyl)-2-oxononanoate
9-methylsulanyl-2-oxononanoate

metacyc.compound:CPDQT-30
metacycM:CPDQT-30
MJGXIOUQXYXGLP-UHFFFAOYSA-M 		9-(methylsulfanyl)-2-oxononanoate
9-(methylthio)-2-oxononanoate
9-(methylthio)-2-oxononanoic acid

vmhM:9mth2nnt
vmhmetabolite:9mth2nnt
MJGXIOUQXYXGLP-UHFFFAOYSA-N 		9-Methylthio-2-nonanoic acid

seed.compound:cpd17418
seedM:cpd17418
MJGXIOUQXYXGLP-UHFFFAOYSA-M 		9-Methylthio-2-nonanoic acid
2-Oxo-9-methylthiononanoic acid
2-oxo-9-methylthiononanoate
2-oxo-9-methylthiononanoic acid
9-(methylsulfanyl)-2-oxononanoate
9-(methylthio)-2-oxononanoate
9-(methylthio)-2-oxononanoic acid

keggC:M_C17228
seedM:M_cpd17418
vmhM:M_9mth2nnt 		secondary/obsolete/fantasy identifier