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glucoalyssin

MNXM55113 is deprecated and here replaced by MNXM1371886
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371886 Image of MNXM1371886
referencechebi:5395
formulaC13H25NO10S3
global charge0
mol weight451.541
InChIKeyHUCGRJSHMZWRQQ-PWGYDFSISA-N
InChIInChI=1S/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/b14-9-/t8-,10-,11+,12-,13+,26?/m1/s1
SMILESCS(=O)CCCCC/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/C13H25NO10S3/c1-26(19)6-4-2-3-5-9(14-24-27(20,21)22)25-13-12(18)11(17)10(16)8(7-15)23-13/h8,10-13,15-18H,2-7H2,1H3,(H,20,21,22)/b14-9-/t8-,10-,11+,12-,13+,26?/m1/s1 Image of MNXM1371886
SMILES (mnx)[CH3:1][S:26]([CH2:6][CH2:4][CH2:2][CH2:3][CH2:5]/[C:9](=[N:14]/[O:24][S:27]([OH:20])(=[O:21])=[O:22])[S:25][C@H:13]1[C@H:12]([OH:18])[C@@H:11]([OH:17])[C@H:10]([OH:16])[C@@H:8]([CH2:7][OH:15])[O:23]1)=[O:19]
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

CHEBI:5395
chebi:5395
HUCGRJSHMZWRQQ-PWGYDFSISA-N 		glucoalyssin
1-S-[(1Z)-6-(methylsulfinyl)-N-(sulfonatooxy)hexanimidoyl]-1-thio-beta-D-glucopyranose
5-Methylsulfinylpentyl glucosinolate
Glucoalyssin
beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)

seed.compound:cpd05312
seedM:cpd05312
HUCGRJSHMZWRQQ-PWGYDFSISA-M 		Glucoalyssin
5-(methylsulfinyl)pentyl-glucosinolate
5-Methylsulfinylpentyl glucosinolate
5-methylsulfinylpentyl glucosinolate
beta-D-Glucopyranose, 1-thio-, 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)

metacyc.compound:CPDQT-284
metacycM:CPDQT-284
HUCGRJSHMZWRQQ-PWGYDFSISA-M 		glucoalyssin
5-(methylsulfinyl)pentyl-glucosinolate

seedM:M_cpd05312 		secondary/obsolete/fantasy identifier