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3-Methylthiopropyl-desulfoglucosinolate

MNXM10067 is deprecated and here replaced by MNXM1370905
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1370905 Image of MNXM1370905
referencechebi:80985
formulaC11H21NO6S2
global charge0
mol weight327.424
InChIKeyOYTRJEKRRFSKHF-IIPHORNXSA-N
InChIInChI=1S/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7-/t6-,8-,9+,10-,11+/m1/s1
SMILESCSCCC/C(=N/O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-10(16)9(15)8(14)6(5-13)18-11/h6,8-11,13-17H,2-5H2,1H3/b12-7-/t6-,8-,9+,10-,11+/m1/s1 Image of MNXM1370905
SMILES (mnx)[CH3:1][S:19][CH2:4][CH2:2][CH2:3]/[C:7](=[N:12]/[OH:17])[S:20][C@H:11]1[C@H:10]([OH:16])[C@@H:9]([OH:15])[C@H:8]([OH:14])[C@@H:6]([CH2:5][OH:13])[O:18]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:80985
chebi:80985
OYTRJEKRRFSKHF-IIPHORNXSA-N 		3-Methylthiopropyl-desulfoglucosinolate
Desulfoglucoibervirin

metacyc.compound:3-METHYLTHIOPROPYL-DESULFO-GLUCOSINOLATE
metacycM:3-METHYLTHIOPROPYL-DESULFO-GLUCOSINOLATE
OYTRJEKRRFSKHF-IIPHORNXSA-N 		3-(methylsulfanyl)propyl-desulfoglucosinolate
3-(methylthio)propyl-desulfoglucosinolate

seed.compound:cpd17434
seedM:cpd17434
OYTRJEKRRFSKHF-IIPHORNXSA-N 		3-Methylthiopropyl-desulfoglucosinolate
3-(methylsulfanyl)propyl-desulfoglucosinolate
3-(methylthio)propyl-desulfoglucosinolate
3-methylthiopropyl-desulfoglucosinolate

seedM:M_cpd17434 		secondary/obsolete/fantasy identifier