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

Feedback

(4R,5R)-1,2-dithiane-4,5-diol

	Properties	Image
MNX_ID	MNXM1105777
reference	chebi:42147
formula	C₄H₈O₂S₂
global charge	0
mol weight	152.24
InChIKey	YPGMOWHXEQDBBV-IMJSIDKUSA-N
InChI	InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
SMILES	O[C@H]1CSSC[C@@H]1O

MNX internals

InChI (mnx)	InChI=1/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
SMILES (mnx)	[CH2:1]1[C@H:3]([OH:5])[C@@H:4]([OH:6])[CH2:2][S:8][S:7]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	16
in models (compartimentalized)	1

Similar chemical compounds in external resources
Identifier	Description
CHEBI:42147 chebi:42147 YPGMOWHXEQDBBV-IMJSIDKUSA-N	(4R,5R)-1,2-dithiane-4,5-diol DITHIANE DIOL
bigg.metabolite:dttOX biggM:dttOX kegg.compound:C01119 keggC:C01119 YPGMOWHXEQDBBV-IMJSIDKUSA-N	Oxidized dithiothreitol
hmdb:HMDB0059664 YPGMOWHXEQDBBV-IMJSIDKUSA-N	Oxidized dithiothreitol (4R,5R)-1,2-dithiane-4,5-diol DITHIANE diol dithiane diol
seed.compound:cpd00823 seedM:cpd00823 YPGMOWHXEQDBBV-IMJSIDKUSA-N	Oxidized dithiothreitol dttOX oxidized dithiothreitol
sabiork.compound:2251 sabiorkM:2251 YPGMOWHXEQDBBV-IMJSIDKUSA-N	Oxidized dithiothreitol trans-1,2-dithiane-4,5-diol
metacyc.compound:OXIDIZED-DITHIOTHREITOL metacycM:OXIDIZED-DITHIOTHREITOL YPGMOWHXEQDBBV-IMJSIDKUSA-N	oxidized dithiothreitol
vmhM:dttOX vmhmetabolite:dttOX YPGMOWHXEQDBBV-IMJSIDKUSA-N	trans-1,2-dithiane-4,5-diol (4R,5R)-1,2-dithiane-4,5-diol
hmdb:HMDB59664 chebi:32884 chebi:42144 biggM:M_dttOX keggC:M_C01119 seedM:M_cpd00823 vmhM:M_dttOX	secondary/obsolete/fantasy identifier