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

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dithioerythritol

	Properties	Image
MNX_ID	MNXM3589
reference	chebi:17456
formula	C₄H₁₀O₂S₂
global charge	0
mol weight	154.256
InChIKey	VHJLVAABSRFDPM-ZXZARUISSA-N
InChI	InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
SMILES	O[C@H](CS)[C@@H](O)CS

MNX internals

InChI (mnx)	InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4+
SMILES (mnx)	[CH2:1]([C@@H:3]([C@@H:4]([CH2:2][SH:8])[OH:6])[OH:5])[SH:7]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:17456 chebi:17456 VHJLVAABSRFDPM-ZXZARUISSA-N	dithioerythritol (2R,3S)-1,4-dimercapto-2,3-butanediol (2R,3S)-1,4-dimercaptobutane-2,3-diol (2R,3S)-1,4-disulfanylbutane-2,3-diol 1,4-dithioerythritol DTE Dithioerythritol erythro-1,4-Dimercapto-2,3-butanediol
seed.compound:cpd00701 seedM:cpd00701 VHJLVAABSRFDPM-ZXZARUISSA-N	DTE (2R,3S)-1,4-dimercaptobutane-2,3-diol Dithioerythritol dithioerythritol erythro-1, 4-dimercapto-2,3-butanediol erythro-1,4-Dimercapto-2,3-butanediol erythro-1,4-dimercapto-2,3-butanediol
kegg.compound:C00950 keggC:C00950 VHJLVAABSRFDPM-ZXZARUISSA-N	Dithioerythritol DTE erythro-1,4-Dimercapto-2,3-butanediol
metacyc.compound:DITHIOERYTHRITOL metacycM:DITHIOERYTHRITOL VHJLVAABSRFDPM-ZXZARUISSA-N	dithioerythritol (2R,3S)-1,4-dimercaptobutane-2,3-diol DTE erythro-1,4-dimercapto-2,3-butanediol
chebi:14184 chebi:23851 chebi:42239 chebi:4662 keggC:M_C00950 seedM:M_cpd00701	secondary/obsolete/fantasy identifier