Showing metabocard for Poly-g-D-glutamate (BMDB0004135)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-09-30 23:08:05 UTC
Update Date2020-04-22 15:13:22 UTC
BMDB IDBMDB0004135
Secondary Accession Numbers
  • BMDB04135
Metabolite Identification
Common NamePoly-g-D-glutamate
DescriptionPoly-g-D-glutamate belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. Based on a literature review very few articles have been published on Poly-g-D-glutamate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Poly-g-D-glutamic acidGenerator
PGAHMDB
Poly-gamma-D-glutamateHMDB
Poly-gamma-D-glutamic acidHMDB, Generator
Poly-gamma-delta-glutamateHMDB
Poly-gamma-delta-glutamic acidHMDB
Poly-gamma-glutamateHMDB
Poly-gamma-glutamic acidHMDB
(2R)-2-{[(4R)-4-{[(4R)-4-{[(4R)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-4-carboxy-1-hydroxybutylidene]amino}-5-oxopentanoateGenerator, HMDB
Poly-g-D-glutamateGenerator
Poly-γ-D-glutamateGenerator
Poly-γ-D-glutamic acidGenerator
Chemical FormulaC20H30N4O12
Average Molecular Weight518.4718
Monoisotopic Molecular Weight518.186022444
IUPAC Name(2R)-2-[(4R)-4-[(4R)-4-[(4R)-4-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-oxopentanoic acid
Traditional Name(2R)-2-[(4R)-4-[(4R)-4-[(4R)-4-amino-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-5-oxopentanoic acid
CAS Registry NumberNot Available
SMILES
N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H](CCC=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C20H30N4O12/c21-10(17(29)30)3-6-14(26)23-12(19(33)34)5-8-16(28)24-13(20(35)36)4-7-15(27)22-11(18(31)32)2-1-9-25/h9-13H,1-8,21H2,(H,22,27)(H,23,26)(H,24,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t10-,11-,12-,13-/m1/s1
InChI KeyLJVWRHJDEMCHNS-FDYHWXHSSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentOligopeptides
Alternative Parents
Substituents
  • Alpha-oligopeptide
  • Gamma-glutamyl alpha-amino acid
  • Glutamine or derivatives
  • N-acyl-alpha-amino acid
  • N-acyl-alpha amino acid or derivatives
  • Tetracarboxylic acid or derivatives
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • D-alpha-amino acid
  • Fatty acyl
  • Fatty amide
  • N-acyl-amine
  • Alpha-hydrogen aldehyde
  • Amino acid
  • Secondary carboxylic acid amide
  • Amino acid or derivatives
  • Carboxamide group
  • Carboxylic acid
  • Organic oxide
  • Primary aliphatic amine
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organooxygen compound
  • Amine
  • Primary amine
  • Aldehyde
  • Hydrocarbon derivative
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External DescriptorsNot Available
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogP-5.016Not Available
Predicted Properties
PropertyValueSource
logP-2.6ALOGPS
logP-6.2ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)1.91ChemAxon
pKa (Strongest Basic)9.31ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count13ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area279.59 ŲChemAxon
Rotatable Bond Count19ChemAxon
Refractivity114.63 m³·mol⁻¹ChemAxon
Polarizability48.89 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 IDHMDB0004135
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB023317
KNApSAcK IDNot Available
Chemspider ID30776562
KEGG Compound IDC05723
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound53477778
PDB IDNot Available
ChEBI ID169453
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available