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6-Hydroxymyosmine

CAT: 0931-T29474-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T29474-02Size:500 mg
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CAS Number
70969-38-9
Target
Others
Related Pathways
Others
Bioactivity
6-Hydroxymyosmine is a Nornicotine metabolite.
Smiles
O=C1C=CC(=CN1)C2=NCCC2
Molecular Formula
C9H10N2O
Molecular Weight
162.19
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6-Hydroxymyosmine

6-hydroxymyosmine is a monohydroxypyridine that is myosmine substituted by a hydroxy group at position 6; major microspecies at pH 7.3. It is a metabolite of nornicotine produced by Shinella sp. strain HZN7. It has a role as a bacterial xenobiotic metabolite. It is a pyrroline and a monohydroxypyridine. It is functionally related to a myosmine.

CAS Number70969-38-9
PubChem CID137001840
IUPAC Name5-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyridin-2-one
Molecular FormulaC9H10N2O
Molecular Weight162.19
XLogP-0.3
Topological Polar Surface Area41.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity300
SMILES
C1CC(=NC1)C2=CNC(=O)C=C2
InChI
InChI=1S/C9H10N2O/c12-9-4-3-7(6-11-9)8-2-1-5-10-8/h3-4,6H,1-2,5H2,(H,11,12)
InChIKey
QYPBKLSPFWOREG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Hydroxymyosmine
CAS: 70969-38-9
CID: 137001840
Formula: C9H10N2O
MW: 162.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.19
XLogP3-0.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass162.079312947
Monoisotopic Mass162.079312947
Topological Polar Surface Area41.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS57791086-Hydroxymyosmine
sc-257002A6,6,6-Trifluoronorleucine
GC4378-5mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellotrioside
BICL2356-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellohexaoside
GC3568-5mgMethyl 6,6'',6''''-trideoxy-6,6'',6''''-triiodo-β-D-cellohexaoside
BICL2357-01Methyl 6,6',6''-trideoxy-6,6',6''-triiodo-ß-D-cellotrioside
AAA76464-016,6,6-Trifluorohexanoic acid
H211306Hexanenitrile-6,6,6-d3
JH3398116,6,6-trideuteriohexanoic acid
sc-3372536,6,6-Trifluoro-hexylamine

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