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2-O-sulfo-alpha,alpha-trehalose

Properties

Image

Occurences in reactions

MNX_ID

MNXM40917

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	7

formula

C₁₂H₂₁O₁₄S

charge

-1

mass

421.06575

reference

chebi:60091

InChIKey

WVFKPISWLUJJIJ-LIZSDCNHSA-M

InChI

InChI=1S/C12H22O14S/c13-1-3-5(15)7(17)9(19)11(23-3)25-12-10(26-27(20,21)22)8(18)6(16)4(2-14)24-12/h3-19H,1-2H2,(H,20,21,22)/p-1/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1

SMILES

O=S(=O)([O-])O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:60091 chebi:60091	2-O-sulfo-alpha,alpha-trehalose 2-O-sulfonato-alpha-D-glucopyranosyl alpha-D-glucopyranoside alpha,alpha-trehalose-2-sulfate anion alpha,alpha-trehalose-2-sulfate(1-)
metacyc.compound:CPD-16663 metacycM:CPD-16663 seed.compound:cpd35272 seedM:cpd35272	2-O-sulfo-alpha,alpha-trehalose
kegg.compound:C20985 keggC:C20985	2-Sulfotrehalose 2-O-Sulfo-alpha,alpha-trehalose
bigg.metabolite:tres biggM:tres	Trehalose 2 sulfate
sabiork.compound:28398 sabiorkM:28398	Trehalose 2-sulfate
CHEBI:60114 chebi:60114	alpha,alpha-trehalose-2-sulfate 2-O-Sulfotrehalose 2-O-sulfo-alpha-D-glucopyranosyl alpha-D-glucopyranoside 2-Sulfotrehalose Trehalose 2-sulfate
seed.compound:cpd16051 seedM:cpd16051	trehalose 2 sulfate tres
biggM:M_tres keggC:M_C20985 seedM:M_cpd16051 seedM:M_cpd35272	secondary/obsolete/fantasy identifier