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oxythiamine(1+)

PropertiesImage
MNX_IDMNXM149150 Image of MNXM149150
referencechebi:78249
formulaC12H16N3O2S
global charge1
mol weight266.346
InChIKeySRDGSXVLAVRBLU-UHFFFAOYSA-O
InChIInChI=1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1
SMILESCC1=NC(O)=C(C[N+]2=CSC(CCO)=C2C)C=N1
MNX internals
InChI (mnx)InChI=1/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3 Image of MNXM149150
SMILES (mnx)[CH3:1][C:8]1=[C:11]([CH2:3][CH2:4][OH:16])[S:18][CH:7]=[N+:15]1[CH2:6][C:10]1=[CH:5][N:13]=[C:9]([CH3:2])[N:14]=[C:12]1[O-:17]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78249
chebi:78249
SRDGSXVLAVRBLU-UHFFFAOYSA-O 		oxythiamine(1+)
5-(2-hydroxyethyl)-4-methyl-3-[(2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl]-1,3-thiazol-3-ium
Hydroxythiamine
oxythiamine

seed.compound:cpd34836
seedM:cpd34836
SRDGSXVLAVRBLU-UHFFFAOYSA-O 		5-(2-Hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride
hydroxythiamine
oxythiamine

metacyc.compound:CPD-15776
metacycM:CPD-15776
SRDGSXVLAVRBLU-UHFFFAOYSA-O 		oxythiamine
5-(2-Hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride
hydroxythiamine

seedM:M_cpd34836 		secondary/obsolete/fantasy identifier