Showing metabocard for N-Succinyl-2-amino-6-ketopimelate (BMDB0012266)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:35:16 UTC
Update Date2020-04-22 15:49:23 UTC
BMDB IDBMDB0012266
Secondary Accession Numbers
  • BMDB12266
Metabolite Identification
Common NameN-Succinyl-2-amino-6-ketopimelate
DescriptionN-Succinyl-2-amino-6-ketopimelate, also known as N-succinyl-2-amino-6-oxo-L-pimelic acid or N-succinyl-L-2-amino-6-oxoheptanedioate, belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom. N-Succinyl-2-amino-6-ketopimelate exists in all living organisms, ranging from bacteria to humans. Based on a literature review very few articles have been published on N-Succinyl-2-amino-6-ketopimelate.
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
N-Succinyl-2-amino-6-oxo-L-pimelic acidChEBI
N-Succinyl-epsilon-keto-L-aminopimelic acidChEBI
N-Succinyl-L-2-amino-6-oxoheptanedioateKegg
N-Succinyl-L-2-amino-6-oxopimelateKegg
(S)-2-(Succinylamino)-6-oxoheptanedioateKegg
N-Succinyl-2-amino-6-oxo-L-pimelateGenerator
N-Succinyl-epsilon-keto-L-aminopimelateGenerator
N-Succinyl-L-2-amino-6-oxoheptanedioic acidGenerator
N-Succinyl-L-2-amino-6-oxopimelic acidGenerator
(S)-2-(Succinylamino)-6-oxoheptanedioic acidGenerator
N-Succinyl-2-amino-6-ketopimelic acidGenerator
(2S)-2-(3-carboxypropanamido)-6-OxoheptanedioateHMDB
(2S)-2-(3-carboxypropanamido)-6-Oxoheptanedioic acidHMDB
L-2-succinylamino-6-OxoheptanedioateHMDB
L-2-succinylamino-6-Oxoheptanedioic acidHMDB
N-Succinyl-2-L-amino-6-oxoheptanedioateHMDB
N-Succinyl-2-L-amino-6-oxoheptanedioic acidHMDB
Succinyl-epsilon-keto-alpha-aminopimelateHMDB
Chemical FormulaC11H15NO8
Average Molecular Weight289.2387
Monoisotopic Molecular Weight289.079766461
IUPAC Name(2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid
Traditional Name(2S)-2-(3-carboxypropanamido)-6-oxoheptanedioic acid
CAS Registry NumberNot Available
SMILES
OC(=O)CCC(=O)N[C@@H](CCCC(=O)C(O)=O)C(O)=O
InChI Identifier
InChI=1S/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)/t6-/m0/s1
InChI KeySDVXSCSNVVZWDD-LURJTMIESA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as n-acyl-l-alpha-amino acids. These are n-acylated alpha amino acids which have the L-configuration of the alpha-carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentN-acyl-L-alpha-amino acids
Alternative Parents
Substituents
  • N-acyl-l-alpha-amino acid
  • Tricarboxylic acid or derivatives
  • Alpha-keto acid
  • Fatty amide
  • Keto acid
  • Fatty acyl
  • N-acyl-amine
  • Alpha-hydroxy ketone
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Ketone
  • Carboxylic acid
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Carbonyl group
  • Organic oxygen compound
  • Organic nitrogen compound
  • Organonitrogen 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
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.78ALOGPS
logP-0.55ChemAxon
logS-2.3ALOGPS
pKa (Strongest Acidic)2.78ChemAxon
pKa (Strongest Basic)-1.5ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area158.07 ŲChemAxon
Rotatable Bond Count10ChemAxon
Refractivity61.57 m³·mol⁻¹ChemAxon
Polarizability25.89 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 IDHMDB0012266
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028904
KNApSAcK IDC00007598
Chemspider ID389314
KEGG Compound IDC04462
BioCyc IDN-SUCCINYL-2-AMINO-6-KETOPIMELATE
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound440349
PDB IDNot Available
ChEBI ID35266
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available