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sinigrin

MNXM12941 is deprecated and here replaced by MNXM1371102
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371102 Image of MNXM1371102
referencechebi:9162
formulaC10H16NO9S2
global charge-1
mol weight358.37
InChIKeyPHZOWSSBXJXFOR-GLVDENFASA-M
InChIInChI=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
SMILESC=CC/C(=N/OS(=O)(=O)[O-])S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/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)/b11-6-/t5-,7-,8+,9-,10+/m1/s1 Image of MNXM1371102
SMILES (mnx)[CH2:1]=[CH:2][CH2:3]/[C:6](=[N:11]/[O:20][S:22]([OH:16])(=[O:17])=[O:18])[S:21][C@H:10]1[C@H:9]([OH:15])[C@@H:8]([OH:14])[C@H:7]([OH:13])[C@@H:5]([CH2:4][OH:12])[O:19]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-3296440
reactomeM:R-ALL-3296440
CHEBI:9162
chebi:9162
PHZOWSSBXJXFOR-GLVDENFASA-M 		sinigrin
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
sinigrin(1-)

sabiork.compound:10521
sabiorkM:10521
PHZOWSSBXJXFOR-GLVDENFASA-M 		Sinigrin

seed.compound:cpd05338
seedM:cpd05338
PHZOWSSBXJXFOR-GLVDENFASA-M 		Sinigrin
2-Propenyl glucosinolate
2-propenyl-glucosinolate
allyl-glucosinolate
sinigrin

CHEBI:79317
chebi:79317
PHZOWSSBXJXFOR-GLVDENFASA-N 		sinigrin
1-S-[(1Z)-N-(sulfooxy)but-3-enimidoyl]-1-thio-beta-D-glucopyranose
2-Propenyl glucosinolate

metacyc.compound:2-PROPENYL-GLUCOSINOLATE
metacycM:2-PROPENYL-GLUCOSINOLATE
PHZOWSSBXJXFOR-GLVDENFASA-M 		sinigrin
2-propenyl-glucosinolate
allyl-glucosinolate

seedM:M_cpd05338 		secondary/obsolete/fantasy identifier