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N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin

Properties

Image

Occurences in reactions

MNX_ID

MNXM128328

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

formula

C₁₂H₂₁NO₈S

charge

mass

339.09879

reference

InChIKey

HXMZQSGMNGTGGB-UHFFFAOYSA-N

InChI

InChI=1S/C12H21NO8S/c1-2-3-22(20)5-7(11(17)18)13-6-12(19)10(16)9(15)8(14)4-21-12/h2,7-10,13-16,19H,1,3-6H2,(H,17,18)

SMILES

C=CCS(=O)CC(NCC1(O)OCC(O)C(O)C1O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0040829	N-(1-Deoxy-b-D-fructopyranosyl) (R)C(S)S-alliin 3-(Prop-2-ene-1-sulfinyl)-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}propanoate 3-(Prop-2-ene-1-sulphinyl)-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}propanoate 3-(Prop-2-ene-1-sulphinyl)-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}propanoic acid 3-(prop-2-ene-1-sulfinyl)-2-{[(2,3,4,5-tetrahydroxyoxan-2-yl)methyl]amino}propanoic acid
hmdb:HMDB40829	secondary/obsolete/fantasy identifier