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

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Thialdine

	Properties	Image
MNX_ID	MNXM144784
reference	chebi:179054
formula	C₆H₁₃NS₂
global charge	0
mol weight	163.311
InChIKey	FBMVFHKKLDGLJA-UHFFFAOYSA-N
InChI	InChI=1S/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3
SMILES	CC1NC(C)SC(C)S1

MNX internals

InChI (mnx)	InChI=1/C6H13NS2/c1-4-7-5(2)9-6(3)8-4/h4-7H,1-3H3/t4?,5?,6?
SMILES (mnx)	[CH3:1][CH:4]1[NH:7][CH:5]([CH3:2])[S:9][CH:6]([CH3:3])[S:8]1

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:179054 chebi:179054 FBMVFHKKLDGLJA-UHFFFAOYSA-N	Thialdine 2,4,6-trimethyl-1,3,5-dithiazinane
hmdb:HMDB0031187 FBMVFHKKLDGLJA-UHFFFAOYSA-N	Thialdine 2,4,6-Trimethyl-[1,3,5]dithiazinane 2,4,6-trimethyl-1,3,5-dithiazinane
hmdb:HMDB31187	secondary/obsolete/fantasy identifier