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sinigrin(1-)

MNXM12941 is deprecated and here replaced by MNXM727892
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM727892

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

formula

C₁₀H₁₆NO₉S₂

charge

-1

mass

358.0272

reference

chebi:9162

InChIKey

PHZOWSSBXJXFOR-GLVDENFASA-M

InChI

InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/p-1/b11-6-/t5-,7-,8+,9-,10+/m1/s1

SMILES

C=CC/C(=N/OS(=O)(=O)[O-])S[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
reactome:R-ALL-3296440 reactomeM:R-ALL-3296440 CHEBI:9162 chebi:9162	sinigrin(1-) 1-S-[(1Z)-N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose 1-S-[N-(sulfonatooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose Sinigrin allylglucosinolate sinigrin anion
sabiork.compound:10521 sabiorkM:10521	Sinigrin
CHEBI:79317 chebi:79317	sinigrin 1-S-[(1Z)-N-(sulfooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose 2-Propenyl glucosinolate