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Showing metabocard for Metenamine (HMDB0029598)

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Record Information
Version4.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:31:23 UTC
Update Date2019-07-23 06:04:26 UTC
HMDB IDHMDB0029598
Secondary Accession Numbers
  • HMDB29598
Metabolite Identification
Common NameMetenamine
DescriptionMetenamine belongs to the family of Aminals. These are organic compounds containing the aminal functional group
Structure
Data?1563861866
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
1,3,5,7-tetraazatricyclo[3.3.1.1(3,7)]DecaneChEBI
HexamethylenamineChEBI
Hexamethylene tetramineChEBI
HexamethylentetraminChEBI
HexamethylentetraminumChEBI
HexamineChEBI
HexaminumChEBI
HMTChEBI
HMTAChEBI
MetenaminaChEBI
MethenamineChEBI
MethenaminumChEBI
UritoneChEBI
UrotropinChEBI
1,3,5,7-TetraazaadamantaneHMDB
1,3,5,7-tetraazatricyclo (3.3.1.1(3,7))DecaneHMDB
1,3,5,7-tetraazatricyclo(3.3.1.13,7)DecaneHMDB
1,3,5,7-tetraazatricyclo(3.3.1.13,7)Decane hydroiodideHMDB
1,3,5,7-tetraazatricyclo[3.3.1.13,7 ]DecaneHMDB
1,3,5,7-tetraazatricyclo[3.3.1.1~3,7~]decaneHMDB
aceto HMTHMDB
AminoformHMDB
AminoformaldehydeHMDB
AmmoformHMDB
AmmonioformaldehydeHMDB
AntihydralHMDB
CarinHMDB
CystaminHMDB
CystogenHMDB
DuirexolHMDB
e239HMDB
Ekagom HHMDB
EsametilentetraminaHMDB
Formaldehyde-ammonia 6:4HMDB
FormamineHMDB
ForminHMDB
Formin (heterocycle)HMDB
Formin (the heterocyclic compound)HMDB
Grasselerator 102HMDB
H.m.t.HMDB
Herax utsHMDB
HeterinHMDB
HEXHMDB
HexaHMDB
Hexa (vulcanization accelerator)HMDB
Hexa-flo-pulverHMDB
HexaformHMDB
HexaloidsHMDB
HexamethylamineHMDB
HexamethyleneamineHMDB
HexamethylenetetraamineHMDB
HexamethylenetetramineHMDB
Hexamethylenetetramine (aliphatic)HMDB
Hexamethylenetetramine, 8ciHMDB
Hexamethylenetetramine, acsHMDB
Hexamethylenetetramine-palladium chloride adductHMDB
HexamethylenetetraminumHMDB
HexamethylentetramineHMDB
Hexamine (heterocycle)HMDB
Hexamine silverHMDB
HexasanHMDB
HexilmethylenamineHMDB
MandelamineHMDB
MethaminHMDB
MethenaminHMDB
Methenamine silverHMDB
MetramineHMDB
NaphthamineHMDB
Natasol fast orange GR saltHMDB
Nocceler HHMDB
Preparation afHMDB
ResotropinHMDB
S 4 (Heterocycle)HMDB
Sanceler HHMDB
Silver methenamineHMDB
TetraazaadamantaneHMDB
UraminHMDB
UratrineHMDB
UrisolHMDB
uro-PhosphateHMDB
UrodeineHMDB
UrotropineHMDB
VesaloinHMDB
VesalvineHMDB
Vulkacit H 30HMDB
Vulkacit H30HMDB
XametrinHMDB
[16]-Adamazane, innHMDB
Methenamine, silverMeSH
Silver, hexamineMeSH
Silver, methenamineMeSH
Chemical FormulaC6H12N4
Average Molecular Weight140.1863
Monoisotopic Molecular Weight140.106196404
IUPAC Name1,3,5,7-tetraazatricyclo[3.3.1.1³,⁷]decane
Traditional Nameformin
CAS Registry Number100-97-0
SMILES
C1N2CN3CN1CN(C2)C3
InChI Identifier
InChI=1S/C6H12N4/c1-7-2-9-4-8(1)5-10(3-7)6-9/h1-6H2
InChI KeyVKYKSIONXSXAKP-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as 1,3,5-triazinanes. These are triazinanes having three nitrogen ring atoms at the 1-, 3-, and 5- positions.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassTriazinanes
Sub Class1,3,5-triazinanes
Direct Parent1,3,5-triazinanes
Alternative Parents
Substituents
  • 1,3,5-triazinane
  • Azacycle
  • Aminal
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen compound
  • Aliphatic heteropolycyclic compound
Molecular FrameworkAliphatic heteropolycyclic compounds
External Descriptors
Ontology
Disposition

Source:

Biological location:

Role

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point> 250 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility449 mg/mL at 12 °CNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
Water Solubility766 g/LALOGPS
logP-1.4ALOGPS
logP0.39ChemAxon
logS0.74ALOGPS
pKa (Strongest Basic)5.88ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area12.96 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity37 m³·mol⁻¹ChemAxon
Polarizability14.25 ųChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-0006-0900000000-37095c7b831e11e5eee2JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-0006-0900000000-05c8e159897335060443JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-01ox-2900000000-86fe33e31cc8f7108c14JSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-01ti-9300000000-7eb44254c8cc65c09acdJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-004i-9000000000-fd4edf8f48f9c42bca0cJSpectraViewer | MoNA
LC-MS/MSLC-MS/MS Spectrum - LC-ESI-QQ , positivesplash10-004l-9000000000-371b89c99afba4931848JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-fdd6b719cb07e4102442JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-fdd6b719cb07e4102442JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-0900000000-fdd6b719cb07e4102442JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-000i-0900000000-4c20ce3a6256ce9cf869JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-000i-0900000000-4c20ce3a6256ce9cf869JSpectraViewer | MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-000i-0900000000-4c20ce3a6256ce9cf869JSpectraViewer | MoNA
MSMass Spectrum (Electron Ionization)splash10-0006-9300000000-e762ea01823717c4bda9JSpectraViewer | MoNA
1D NMR1H NMR SpectrumNot AvailableJSpectraViewer
1D NMR13C NMR SpectrumNot AvailableJSpectraViewer
Biological Properties
Cellular Locations
  • Cytoplasm
  • Extracellular
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB06799
Phenol Explorer Compound IDNot Available
FoodDB IDFDB000762
KNApSAcK IDNot Available
Chemspider ID3959
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkMethenamine
METLIN IDNot Available
PubChem Compound4101
PDB IDNot Available
ChEBI ID6824
Food Biomarker OntologyNot Available
VMH IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .