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glucoibarin

MNXM15054 is deprecated and here replaced by MNXM729351
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM729351 Image of MNXM729351
referencechebi:132553
formulaC15H29NO10S3
global charge0
mol weight479.595
InChIKeyLQZALQLZOQQFGM-MMLSCURJSA-N
InChIInChI=1S/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24)/t10-,12-,13+,14-,15+,28?/m1/s1
SMILESCS(=O)CCCCCCCC(=NOS(=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/C15H29NO10S3/c1-28(21)8-6-4-2-3-5-7-11(16-26-29(22,23)24)27-15-14(20)13(19)12(18)10(9-17)25-15/h10,12-15,17-20H,2-9H2,1H3,(H,22,23,24)/b16-11?/t10-,12-,13+,14-,15+,28?/m1/s1 Image of MNXM729351
SMILES (mnx)[CH3:1][S:28]([CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][C:11](=[N:16][O:26][S:29]([OH:22])(=[O:23])=[O:24])[S:27][C@H:15]1[C@H:14]([OH:20])[C@@H:13]([OH:19])[C@H:12]([OH:18])[C@@H:10]([CH2:9][OH:17])[O:25]1)=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132553
chebi:132553
LQZALQLZOQQFGM-MMLSCURJSA-N 		glucoibarin
1-S-[8-(methanesulfinyl)-N-(sulfooxy)octanimidoyl]-1-thio-beta-D-glucopyranose
7-(Methylsulfinyl)heptyl glucosinolate
7-(methylsulfinyl)heptyl glucosinolic acid
hmdb:HMDB0304241
LQZALQLZOQQFGM-UHFFFAOYSA-M 		7-methylsulfinylheptyl glucosinolate
2-(hydroxymethyl)-6-({8-methanesulfinyl-1-[(sulfonatooxy)imino]octyl}sulfanyl)oxane-3,4,5-triol
7-Methylsulfinylheptyl glucosinolic acid
7-Methylsulphinylheptyl glucosinolate
7-Methylsulphinylheptyl glucosinolic acid