MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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3-methylsulfanylpropanal

	Properties	Image
MNX_ID	MNXM6829
reference	chebi:49017
formula	C₄H₈OS
global charge	0
mol weight	104.174
InChIKey	CLUWOWRTHNNBBU-UHFFFAOYSA-N
InChI	InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
SMILES	CSCCC=O

MNX internals

InChI (mnx)	InChI=1/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
SMILES (mnx)	[CH3:1][S:6][CH2:4][CH2:2][CH:3]=[O:5]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:49017 chebi:49017 CLUWOWRTHNNBBU-UHFFFAOYSA-N	3-methylsulfanylpropanal 3-(Methylmercapto)propionaldehyde 3-(Methylthio)propanal 3-(Methylthio)propionaldehyde 3-(methylsulfanyl)propanal 3-methylthiopropanal 4-Thiapentanal beta-(Methylmercapto)propionaldehyde beta-(Methylthio)propionaldehyde methional
hmdb:HMDB0031857 CLUWOWRTHNNBBU-UHFFFAOYSA-N	3-(Methylthio)propanal 3-(Methylmercapto)propionaldehyde 3-(Methylsulfanyl)propanal 3-(Methylthio)propionaldehyde 3-(Methylthiol)propanal 3-(methylsulfanyl)propanal 3-(methylthio)-1-Propanal 3-(methylthio)-Propanal 3-(methylthio)-Propionaldehyde 3-(methylthio)Propanal (methional) 3-(methylthio)Propionaldehyde (methional) 3-(methylthio)Propionaldehyde, 8ci 3-(methythio)-Propanal 3-Methylmercaptopropyl aldehyde 3-Methylsulfanyl-propanal 3-Methylsulfanyl-propionaldehyde 3-Methylsulfanylpropanal 3-Methylsulphanylpropanal 3-Methylthiopropanal 3-Methylthiopropional 3-[methylthio]Propionaldehyde 3-methylmercapto-Propionaldehyde 3-methylthio-Propionaldehyde 4-Thiapentanal C4H8OS FEMA 2747 MMP Methional Methylmercaptoaldehyde Methylmercaptopropionaldehyde Methylmercaptopropionic aldehyde b-(Methylmercapto)propionaldehyde b-(Methylthio)propionaldehyde beta -(methylmercapto)Propionaldehyde beta -(methylthio)Propionaldehyde beta-(Methylmercapto)propionaldehyde beta-(Methylthio)propionaldehyde beta-(methylmercapto)propionaldehyde beta-(methylthio)propionaldehyde methional
metacyc.compound:CPD-7036 metacycM:CPD-7036 CLUWOWRTHNNBBU-UHFFFAOYSA-N	3-(methylsulfanyl)propanal 3-methylmercapto-propionaldehyde 3-methylsulfanyl-propanal 3-methylthio-propionaldehyde 3-methylthiopropanal 3-methylthiopropional methional
seed.compound:cpd16244 seedM:cpd16244 CLUWOWRTHNNBBU-UHFFFAOYSA-N	MTAL 3-(methylsulfanyl)propanal 3-methylmercapto-propionaldehyde 3-methylsulfanyl-propanal 3-methylthio-propionaldehyde 3-methylthiopropanal 3-methylthiopropional cll_473 methional
hmdb:HMDB31857 seedM:M_cpd16244	secondary/obsolete/fantasy identifier