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

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thioacetate

	Properties	Image
MNX_ID	MNXM4845
reference	chebi:30320
formula	C₂H₃OS
global charge	-1
mol weight	75.112
InChIKey	DUYAAUVXQSMXQP-UHFFFAOYSA-M
InChI	InChI=1S/C2H4OS/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES	CC(=O)[S-]

MNX internals

InChI (mnx)	InChI=1/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
SMILES (mnx)	[CH3:1][C:2](=[O:3])[SH:4]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:30320 chebi:30320 DUYAAUVXQSMXQP-UHFFFAOYSA-M	thioacetate Thioacetat ethanethioate
sabiork.compound:6963 sabiorkM:6963 DUYAAUVXQSMXQP-UHFFFAOYSA-N	Acetyl-[acyl-carrier protein]
hmdb:HMDB0031188 DUYAAUVXQSMXQP-UHFFFAOYSA-N	Ethanethioic acid Acetyl mercaptan CH3COSH Ethanethioate Ethanethioic O-acid Ethanethiolic acid Methanecarbothiolic acid Schiff'S reagent Thiacetic acid Thio-acetic acid Thioacetate Thioacetate esters Thioacetic S-acid Thioacetic acid Thioacetic acid, potassium salt Thioacetic acid, sodium salt Thiolacetic acid Thiolacetic acid? Thionoacetic acid ethanethioic S-acid schiff reagent
sabiork.compound:2326 sabiorkM:2326 kegg.compound:C01857 keggC:C01857 DUYAAUVXQSMXQP-UHFFFAOYSA-M DUYAAUVXQSMXQP-UHFFFAOYSA-N	Thioacetate Thioacetic acid
seed.compound:cpd01279 seedM:cpd01279 DUYAAUVXQSMXQP-UHFFFAOYSA-M	Thioacetate Thioacetic acid thioacetate
CHEBI:46800 chebi:46800 DUYAAUVXQSMXQP-UHFFFAOYSA-N	ethanethioic O-acid
CHEBI:16555 chebi:16555 DUYAAUVXQSMXQP-UHFFFAOYSA-N	ethanethioic S-acid CH3COSH Thioacetic acid acetyl mercaptan thioacetic S-acid
metacyc.compound:CPD-435 metacycM:CPD-435 DUYAAUVXQSMXQP-UHFFFAOYSA-M	thioacetate Thioacetic acid
CHEBI:26952 chebi:26952	thioacetic acid Thioessigsaeure ethanethioic acid
hmdb:HMDB31188 chebi:15233 chebi:26951 chebi:9547 keggC:M_C01857 seedM:M_cpd01279	secondary/obsolete/fantasy identifier