Showing metabocard for Serylglycine (BMDB0064055)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2020-03-03 19:38:08 UTC
Update Date2020-04-22 15:56:48 UTC
BMDB IDBMDB0064055
Secondary Accession Numbers
  • BMDB64055
Metabolite Identification
Common NameSerylglycine
DescriptionSerylglycine, also known as L-ser-gly or SG, belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond. Based on a literature review a significant number of articles have been published on Serylglycine.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
L-Ser-glyChEBI
Serinyl-glycineChEBI
SGChEBI
L-SerylglycineHMDB
N-L-SerylglycineHMDB
N-SerylglycineHMDB
NSC 88482HMDB
S-g DipeptideHMDB
SG DipeptideHMDB
Ser-glyHMDB
Serine glycine dipeptideHMDB
Serine-glycine dipeptideHMDB
SerinylglycineHMDB
Seryl-glycineHMDB
Chemical FormulaC5H10N2O4
Average Molecular Weight162.145
Monoisotopic Molecular Weight162.06405681
IUPAC Name2-[(2S)-2-amino-3-hydroxypropanamido]acetic acid
Traditional Name[(2S)-2-amino-3-hydroxypropanamido]acetic acid
CAS Registry NumberNot Available
SMILES
N[C@@H](CO)C(=O)NCC(O)=O
InChI Identifier
InChI=1S/C5H10N2O4/c6-3(2-8)5(11)7-1-4(9)10/h3,8H,1-2,6H2,(H,7,11)(H,9,10)/t3-/m0/s1
InChI KeyWOUIMBGNEUWXQG-VKHMYHEASA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentDipeptides
Alternative Parents
Substituents
  • Alpha-dipeptide
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Alpha-amino acid amide
  • Serine or derivatives
  • Alpha-amino acid or derivatives
  • Amino acid or derivatives
  • Carboxamide group
  • Amino acid
  • Carboxylic acid salt
  • Secondary carboxylic acid amide
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Alcohol
  • Organooxygen compound
  • Organonitrogen compound
  • Primary alcohol
  • Primary amine
  • Organic zwitterion
  • Primary aliphatic amine
  • Organic salt
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Amine
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
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-3.3ALOGPS
logP-5ChemAxon
logS-0.34ALOGPS
pKa (Strongest Acidic)3.44ChemAxon
pKa (Strongest Basic)7.85ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area112.65 ŲChemAxon
Rotatable Bond Count4ChemAxon
Refractivity34.84 m³·mol⁻¹ChemAxon
Polarizability14.87 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0029039
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB112047
KNApSAcK IDNot Available
Chemspider ID5373223
KEGG Compound IDNot Available
BioCyc IDCPD-12607
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound7009643
PDB IDNot Available
ChEBI ID74814
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available