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N-nonyldeoxynojirimycin

PropertiesImage
MNX_IDMNXM158587 Image of MNXM158587
referencechebi:76399
formulaC15H31NO4
global charge0
mol weight289.416
InChIKeyFTSCEGKYKXESFF-LXTVHRRPSA-N
InChIInChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
SMILESCCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
MNX internals
InChI (mnx)InChI=1/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1 Image of MNXM158587
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][N:16]1[CH2:10][C@H:13]([OH:18])[C@@H:15]([OH:20])[C@H:14]([OH:19])[C@H:12]1[CH2:11][OH:17]
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:76399
chebi:76399
FTSCEGKYKXESFF-LXTVHRRPSA-N
N-nonyldeoxynojirimycin
(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
NN-DNJ
hmdb:HMDB0242572
FTSCEGKYKXESFF-UHFFFAOYSA-N
(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-nonylpiperidine-3,4,5-triol
2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol