Showing metabocard for Trimethyl phosphate (BMDB0063715)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-02-10 19:47:27 UTC
Update Date2020-04-16 17:52:55 UTC
BMDB IDBMDB0063715
Secondary Accession Numbers
  • BMDB63715
Metabolite Identification
Common NameTrimethyl phosphate
Descriptiontrimethyl phosphate, also known as TMP, belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains. Based on a literature review a significant number of articles have been published on trimethyl phosphate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
O,O,O-Trimethyl phosphateChEBI
Phosphoric acid, trimethyl esterChEBI
TMPChEBI
TMPAChEBI
TMPOChEBI
Trimethoxyphosphine oxideChEBI
Trimethyl orthophosphateChEBI
O,O,O-Trimethyl phosphoric acidGenerator
Phosphate, trimethyl esterGenerator
Trimethyl orthophosphoric acidGenerator
Trimethyl phosphoric acidGenerator
TrimethylphosphateMeSH
Chemical FormulaC3H9O4P
Average Molecular Weight140.0749
Monoisotopic Molecular Weight140.023845288
IUPAC Nametrimethyl phosphate
Traditional Nametrimethyl phosphate
CAS Registry NumberNot Available
SMILES
COP(=O)(OC)OC
InChI Identifier
InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
InChI KeyWVLBCYQITXONBZ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentTrialkyl phosphates
Alternative Parents
Substituents
  • Trialkyl phosphate
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusDetected but not Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.61ALOGPS
logP0.11ChemAxon
logS-0.53ALOGPS
pKa (Strongest Basic)-9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area44.76 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity28.1 m³·mol⁻¹ChemAxon
Polarizability11.56 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Colostrum
  • Muscle
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
ColostrumDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Commercial Product/bacterial growth on ground beef		 details
MuscleDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Commercial Product/bacterial growth on ground beef		 details
HMDB IDHMDB0259237
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID10101
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTrimethyl_phosphate
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI ID46324
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available