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

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(Z)-propanethial S-oxide

	Properties	Image
MNX_ID	MNXM725338
reference	chebi:183657
formula	C₃H₆OS
global charge	0
mol weight	90.147
InChIKey	BAZSXBOAXJLRNH-UHFFFAOYSA-N
InChI	InChI=1S/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3
SMILES	CC/C=[S+]\[O-]

MNX internals

InChI (mnx)	InChI=1/C3H6OS/c1-2-3-5-4/h3H,2H2,1H3
SMILES (mnx)	[CH3:1][CH2:2][CH:3]=[S:5]=[O:4]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:183657 chebi:183657 BAZSXBOAXJLRNH-UHFFFAOYSA-N	(Z)-propanethial S-oxide (1Z)-propanethial S-oxide (Z)-(propylidenesulfaniumyl)oxidanide (Z)-propylidene-lambda(4)-sulfanone (Z)-propylidene-lambda(4)-sulfanyliumolate (Z)-propylidenesulfoniumolate Z-propanethial S-oxide cis-propanethial S-oxide propanethial S-oxide Z-isomer syn-propanethial S-oxide
CHEBI:183658 chebi:183658 BAZSXBOAXJLRNH-UHFFFAOYSA-N	(E)-propanethial S-oxide (1E)-propanethial S-oxide (E)-(propylidenesulfaniumyl)oxidanide (E)-propylidene-lambda(4)-sulfanone (E)-propylidene-lambda(4)-sulfanyliumolate (E)-propylidenesulfoniumolate E-propanethial S-oxide anti-propanethial S-oxide propanethial S-oxide E-isomer trans-propanethial S-oxide
metacyc.compound:CPD-9305 metacycM:CPD-9305 BAZSXBOAXJLRNH-UHFFFAOYSA-N	(Z)-propanethial oxide lachrymatory factor
kegg.compound:C08389 keggC:C08389 BAZSXBOAXJLRNH-UHFFFAOYSA-N	Propanethial S-oxide Thiopropanal S-oxide
hmdb:HMDB0040346 BAZSXBOAXJLRNH-UHFFFAOYSA-N	Thial-1-Propene-1-thiol S-oxide 1-sulfinylidenepropane Propanethial S-oxide Thiopropanal S-oxide propanethial, S-oxide
seed.compound:cpd05301 seedM:cpd05301 BAZSXBOAXJLRNH-UHFFFAOYSA-N	Thiopropanal S-oxide (Z)-propanethial S-oxide Propanethial S-oxide lachrymatory factor propanethiol S-oxide
CHEBI:8475 chebi:8475 BAZSXBOAXJLRNH-UHFFFAOYSA-N	propanethial S-oxide 1-(oxido-lambda(4)-sulfanylidene)propane 1-sulfinylidenepropane propylidenesulfoniumolate thiopropanal S-oxide thiopropionaldehyde S-oxide
hmdb:HMDB40346 keggC:M_C08389 seedM:M_cpd05301	secondary/obsolete/fantasy identifier