Showing metabocard for Lactamide (BMDB0109735)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-05-06 19:44:34 UTC
Update Date2020-05-07 14:45:27 UTC
BMDB IDBMDB0109735
Secondary Accession NumbersNone
Metabolite Identification
Common NameLactamide
DescriptionLactamide, also known as DL-lactate amide or CH3CH(OH)CONH2, belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl). Based on a literature review a significant number of articles have been published on Lactamide.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
2-HydroxypropionamideChEBI
alpha-HydroxypropanamideChEBI
alpha-HydroxypropionamideChEBI
CH3CH(OH)CONH2ChEBI
DL-LactamideChEBI
DL-Lactic acid amideChEBI
Lactic acid amideChEBI
Lactic amideChEBI
MeCH(OH)CONH2ChEBI
a-HydroxypropanamideGenerator
Α-hydroxypropanamideGenerator
a-HydroxypropionamideGenerator
Α-hydroxypropionamideGenerator
DL-Lactate amideGenerator
Lactate amideGenerator
Chemical FormulaC3H7NO2
Average Molecular Weight89.094
Monoisotopic Molecular Weight89.047678469
IUPAC Name2-hydroxypropanamide
Traditional Namepropanamide, 2-hydroxy-
CAS Registry NumberNot Available
SMILES
CC(O)C(N)=O
InChI Identifier
InChI=1S/C3H7NO2/c1-2(5)3(4)6/h2,5H,1H3,(H2,4,6)
InChI KeySXQFCVDSOLSHOQ-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentSecondary alcohols
Alternative Parents
Substituents
  • Secondary alcohol
  • Carboximidic acid derivative
  • Carboximidic acid
  • Organic nitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organonitrogen 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-1.3ALOGPS
logP-1.3ChemAxon
logS0.8ALOGPS
pKa (Strongest Acidic)13.49ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area63.32 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity20.66 m³·mol⁻¹ChemAxon
Polarizability8.48 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
  • Liver
  • Mammary Gland
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
LiverDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Mammary GlandDetected but not QuantifiedNot QuantifiedNot SpecifiedNot Specified
Normal		 details
Abnormal Concentrations
Not Available
HMDB IDHMDB0253942
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID85030
KEGG Compound IDNot Available
BioCyc IDCPD-13407
BiGG IDNot Available
Wikipedia LinkLactamide
METLIN IDNot Available
PubChem Compound94220
PDB IDNot Available
ChEBI ID75144
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available