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2-Hydroxypentyl glucosinolate

PropertiesImage
MNX_IDMNXM116794 Image of MNXM116794
referencehmdb:HMDB0038413
formulaC12H23NO10S2
global charge0
mol weight405.447
InChIKeyXTEJYKQXWYEDHX-MDWZMJQESA-N
InChIInChI=1S/C12H23NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h6-7,9-12,14-18H,2-5H2,1H3,(H,19,20,21)/b13-8+
SMILESCCCC(O)C/C(=N\OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O
MNX internals
InChI (mnx)InChI=1/C12H23NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h6-7,9-12,14-18H,2-5H2,1H3,(H,19,20,21)/b13-8+/t6?,7?,9?,10?,11?,12? Image of MNXM116794
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH:6]([CH2:4]/[C:8](=[N:13]\[O:23][S:25]([OH:19])(=[O:20])=[O:21])[S:24][CH:12]1[CH:11]([OH:18])[CH:10]([OH:17])[CH:9]([OH:16])[CH:7]([CH2:5][OH:14])[O:22]1)[OH:15]
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
hmdb:HMDB0038413
XTEJYKQXWYEDHX-MDWZMJQESA-N 		2-Hydroxypentyl glucosinolate
1-thio-b-D-Glucopyranose 1-[3-hydroxy-N-(sulfooxy)hexanimidate], 9ci
2-Hydroxypentyl glucosinolic acid
[(E)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxysulfonic acid
{[(E)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxy}sulfonic acid
{[(e)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl}hexylidene)amino]oxy}sulfonate
{[(e)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}hexylidene)amino]oxy}sulphonate
{[(e)-(3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulphanyl}hexylidene)amino]oxy}sulphonic acid

hmdb:HMDB38413 		secondary/obsolete/fantasy identifier