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

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3-Mercapto-3-methylbutyl formate

	Properties	Image
MNX_ID	MNXM117501
reference	chebi:191604
formula	C₆H₁₂O₂S
global charge	0
mol weight	148.227
InChIKey	VTAPYUYITKYXJB-UHFFFAOYSA-N
InChI	InChI=1S/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
SMILES	CC(C)(S)CCOC=O

MNX internals

InChI (mnx)	InChI=1/C6H12O2S/c1-6(2,9)3-4-8-5-7/h5,9H,3-4H2,1-2H3
SMILES (mnx)	[CH3:1][C:6]([CH3:2])([CH2:3][CH2:4][O:8][CH:5]=[O:7])[SH:9]

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:191604 chebi:191604 VTAPYUYITKYXJB-UHFFFAOYSA-N	3-Mercapto-3-methylbutyl formate (3-methyl-3-sulanylbutyl) ormate
hmdb:HMDB0036193 VTAPYUYITKYXJB-UHFFFAOYSA-N	3-Mercapto-3-methylbutyl formate 3-Mercapto-3-methylbutyl formic acid 3-Methyl-3-sulfanylbutyl formate 3-Methyl-3-sulfanylbutyl formic acid 3-Methyl-3-sulphanylbutyl formate 3-Methyl-3-sulphanylbutyl formic acid 3-mercapto-3-Methylbutyl formate (ester) 3-mercapto-3-Methylbutylformate 3-methyl-3-sulfanylbutyl formate FEMA 3855 Formic acid 3-mercapto-3-methyl-butyl ester
seed.compound:cpd34795 seedM:cpd34795 VTAPYUYITKYXJB-UHFFFAOYSA-N	3-mercapto-3-methylbutyl formate 3-methyl-3-sulfanylbutyl formate
metacyc.compound:CPD-21348 metacycM:CPD-21348 VTAPYUYITKYXJB-UHFFFAOYSA-N	3-methyl-3-sulfanylbutyl formate 3-mercapto-3-methylbutyl formate
hmdb:HMDB36193 seedM:M_cpd34795	secondary/obsolete/fantasy identifier