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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2006-05-22 14:17:31 UTC
Update Date2017-10-23 19:03:55 UTC
HMDB IDHMDB0002006
Secondary Accession Numbers
  • HMDB02006
Metabolite Identification
Common Name2,3-Diaminopropionic acid
Description2,3-Diaminopropionic acid is a metabolite of b-oxalyl-L-a,b-diaminopropionic acid a neurotoxic amino acid (ODAP). (PMID 5774501 ). ODAP is considered as the cause of the disease neurolathyrism, a neurodegenerative disease that causes paralysis of the lower body.(wikipedia).
Structure
Thumb
SynonymsNot Available
Chemical FormulaC3H8N2O2
Average Molecular Weight104.1078
Monoisotopic Molecular Weight104.05857751
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry Number4033-39-0
SMILESNot Available
InChI Identifier
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
InChI KeyPECYZEOJVXMISF-REOHCLBHSA-N
Chemical Taxonomy
ClassificationNot classified
Ontology
Disposition

Biological Location:

  Subcellular:

  Biofluid and excreta:

Source:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted PropertiesNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-053r-9000000000-c5fc8b7f3049c78db259View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (1 TMS) - 70eV, Positivesplash10-0089-9400000000-ac9c548fe4984f658b4dView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-000i-9100000000-0d9790594001471b30edView in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-00di-9100000000-afc3c837d4193aee8288View in MoNA
LC-MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-0pi9-9700000000-9694425dfef5b5a9b6a8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4r-9300000000-ab5e7bbdd93c33708014View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4l-9000000000-9a0039635b417ed57505View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-9000000000-092731a1c0c67993ca40View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-3900000000-06bcb0fa2d300aaf959bView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udr-9800000000-aa154fa977a53ab8cfadView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0abl-9000000000-a1904446aa10d46b7228View in MoNA
1D NMR1H NMR SpectrumNot AvailableView in JSpectraViewer
2D NMR[1H,13C] 2D NMR SpectrumNot AvailableView in JSpectraViewer
Biological Properties
Cellular Locations
  • Cytoplasm (predicted from logP)
Biofluid Locations
  • Blood
  • Urine
Tissue LocationNot Available
PathwaysNot Available
NameSMPDB/PathwhizKEGG
No entries found
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodExpected but not Quantified Not AvailableNot Available
Normal
    details
    UrineDetected and Quantified<1 nmol/mmol creatinineAdult (>18 years old)BothNormal details
    Abnormal Concentrations
    Not Available
    Associated Disorders and Diseases
    Disease ReferencesNone
    Associated OMIM IDsNone
    DrugBank IDNot Available
    DrugBank Metabolite IDNot Available
    Phenol Explorer Compound IDNot Available
    Phenol Explorer Metabolite IDNot Available
    FoodDB IDFDB022790
    KNApSAcK IDNot Available
    Chemspider ID87849
    KEGG Compound IDC03401
    BioCyc IDCPD-1782
    BiGG IDNot Available
    Wikipedia LinkNot Available
    METLIN ID6429
    PubChem Compound97328
    PDB IDDPP
    ChEBI ID16303
    References
    Synthesis ReferenceNot Available
    Material Safety Data Sheet (MSDS)Download (PDF)
    General References
    1. Cheema PS, Malathi K, Padmanaban G, Sarma PS: The neurotoxicity of beta-N-oxalyl-L-alphabeta-diaminopropionic acid, the neurotoxin from the pulse Lathyrus sativus. Biochem J. 1969 Mar;112(1):29-33. [PubMed:5774501 ]