Glucoberteroin

CAT: 0804-HY-N13299Size: 1 EachDry Ice: NoHazardous: No

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Description

Glucoberteroin is a glucosinolate, which could be isolated from Degenia velebitica. Glucoberteroin inhibits protein glycosylation and carbonylation, decreases the production of carbonyl protein, and contributes to the preventation of skin-aging[1].

CAS Number

29611-01-6

UNSPSC

12352005

Target

Endogenous Metabolite

Type

Reference compound

Related Pathways

Metabolic Enzyme/Protease

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/glucoberteroin.html

Smiles

O=S(O/N=C(CCCCCSC)\S[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(O)=O

Molecular Formula

C13H25NO9S3

Molecular Weight

435.53

References & Citations

[1]De Nicola GR, et al., Glucosinolate distribution in aerial parts of Degenia velebitica. Chem Biodivers. 2011 Nov;8 (11) :2090-6.|[2]Shimoda H, et al. Glucosinolates and isothiocyanates from broccoli seed extract suppress protein glycation and carbonylation[J]. Functional Foods in Health and Disease, 2018, 8 (1) : 35-48.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Glucoberteroin

Glucopyranose, 1-thio-, 1-(6-(methylthio)hexanohydroximate) NO-(hydrogen sulfate), beta-D- has been reported in Arabidopsis thaliana and Dimorphocarpa wislizeni with data available.

CAS Number	29611-01-6
PubChem CID	9548727
IUPAC Name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-6-methylsulfanyl-N-sulfooxyhexanimidothioate
Molecular Formula	C13H25NO9S3
Molecular Weight	435.5
XLogP	-0.2
Topological Polar Surface Area	225
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Heavy Atom Count	26
Formal Charge	0
Complexity	539

SMILES

CSCCCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O

InChI

InChI=1S/C13H25NO9S3/c1-24-6-4-2-3-5-9(14-23-26(19,20)21)25-13-12(18)11(17)10(16)8(7-15)22-13/h8,10-13,15-18H,2-7H2,1H3,(H,19,20,21)/b14-9+/t8-,10-,11+,12-,13+/m1/s1

InChIKey

MEFPHTVXBPLRLX-KHXSHCKASA-N

Chemical Structure

2D Structure

CAS: 29611-01-6

CID: 9548727

Formula: C13H25NO9S3

MW: 435.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	435.5
XLogP3	-0.2
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	11
Exact Mass	435.06914490
Monoisotopic Mass	435.06914490
Topological Polar Surface Area	225 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	539
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19240707-01	Glucoberteroin
VJA55065-01	Glucoberteroin potassium salt

Glucoberteroin

Chemical Information

Alternative Products

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