We are currently updating the database - data may be missing for the next 10 minutes. We apologize for any inconvenience.

Bovine Metabolome Database



Showing metabocard for 1,3-Diaminopropane (BMDB00002)

Legend: metabolite field enzyme field

Version 1.0
Creation Date 2005-11-16 15:48:42
Update Date 2009-08-06 11:58:08
Accession Number BMDB00002
Common Name 1,3-Diaminopropane
Description 1,3-Diaminopropane is a stable, flammable and highly hydroscopic fluid. It is a polyamine that is normally quite toxic if swallowed, inhaled or absorbed through the skin. It is a catabolic byproduct of spermidine. It is also a precursor in the enzymatic synthesis of beta-alanine. 1, 3-Diaminopropane is involved in the arginine/proline metabolic pathways and the beta-alanine metabolic pathway.
Synonyms
  1. 1,3-Diamino-n-propane
  2. 1,3-Propylenediamine
  3. 1,3-Trimethylenediamine
  4. 1,3-propanediamine
  5. 3-Aminopropylamine
  6. Propane-1,3-diamine
  7. Trimethylenediamine
  8. a,w-Propanediamine
Chemical IUPAC Name propane-1,3-diamine
Chemical Formula C3H10N2
Chemical Structure Structure
Chemical Taxonomy
Kingdom
  • Organic
Super Class
  • Amines
Class
  • Polyamines
Sub Class
  • Miscellaneous polyamines
Family
  • Mammalian_Metabolite
Species
  • primary amine; primary aliphatic amine (alkylamine)
Biofunction
Application
Source
  • Endogenous
Average Molecular Weight 74.125
Monoisotopic Molecular Weight 74.084396
Isomeric SMILES NCCCN
Canonical SMILES NCCCN
KEGG Compound ID C00986 Link Image
BioCyc ID CPD-313 Link Image
BiGG ID 36543 Link Image
Wikipedia Link Not Available
METLIN ID 5081 Link Image
PubChem Compound 428 Link Image
PubChem Substance 11369168 Link Image
ChEBI ID 15725 Link Image
CAS Registry Number 109-76-2
InChI Identifier InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2
Synthesis Reference Takayanagi, Yasuyuki; Oohinata, Takahiro. Preparation of 1,3-diaminopropane from acrylonitrile and ammonia. Jpn. Kokai Tokkyo Koho (1994), 5 pp.
Melting Point (Experimental) -12 oC
Experimental Water Solubility Not Available Source: PhysProp
Predicted Water Solubility 1000 mg/mL at 25 oC [MEYLAN,WM et al. (1996)]; 437.0 mg/mL [Predicted by ALOGPS] Calculated using ALOGPS
Physiological Charge 2
State Liquid
Experimental LogP/Hydrophobicity -1.43 [HANSCH,C ET AL. (1995)] Source: PhysProp
Predicted LogP/Hydrophobicity -1 [Predicted by PubChem via XLOGP]; -1.41 [Predicted by ALOGPS] Calculated using ALOGPS
Material Safety Data Sheet (MSDS)
MOL File Show
SDF File Show
PDB File Show
2D Structure
3D Structure
Experimental PDB ID Not Available
Experimental 1H NMR Spectrum Download Spectrum
Download FID (Varian)
Show Experimental Conditions Link Image
Experimental 13C NMR Spectrum Not Available
Experimental 13C HSQC Spectrum Download Spectrum
Download FID (Bruker)
Show Experimental Conditions Link Image
Predicted 1H NMR Spectrum Show Image
Show Peaklist
Predicted 13C NMR Spectrum Show Image
Show Peaklist
Mass Spectrum
Low Energy
Download File
Show Experimental Conditions Link Image
Medium Energy
Download File
Show Experimental Conditions Link Image
High Energy
Download File
Show Experimental Conditions Link Image
Simplified TOCSY Spectrum Show Image
Show Peaklist
BMRB Spectrum Show Image
Show Peaklist
Cellular Location
  • Cytoplasm
Biofluid Location
  • Urine
Tissue Location Not Available
Concentrations (Normal) Not Available
Concentrations (Abnormal) Not Available
Pathway Names
  • Beta Alanine Metabolism
HMDB Pathways
Name Beta Alanine Metabolism
Image Show Link Image
KEGG Pathways
Name Beta Alanine Metabolism
Image Show Link Image
SimCell Pathways
Name Beta Alanine Metabolism
Image Show Link Image
Graph
SBML
General References Not Available
Metabolic Enzymes
  1. Deoxyhypusine synthase
Enzyme 1 [top]
Enzyme 1 ID 127
Enzyme 1 Name Deoxyhypusine synthase
Enzyme 1 Synonyms
  1. DHS
Enzyme 1 Gene Name DHPS
Enzyme 1 Protein Sequence >Deoxyhypusine synthase
MEGPQEREVPAAALAAVLKHSSALPFETAQVRGYDFNRGVDYRALLEAFSTTGFQATNFG
RAVQQVNAMIEKKLEPLSEDEDQHADLTQSRRPLTGCTIFLGYTSNLISSGIRETIRYLV
QHNMVDVLVTTAGGVEEDFIKCLAPTYLGEFSLRGKELRENGINRIGNLLVPNDNYCKFE
DWLMPILDQMVLEQNTEGVKWTPSKMIARLGKEINNPESVYYWAQKNHIPVLSPALTDGS
LGDMIFFHSYKNPGLVLDIVEDLKLINTQAIFAKRTGMIILGGGMVKHHIANANLMRNGA
DYAVYINTAQEFDGSDSGARPDEAVSWGKIRMDAQPVKVYADASLVFPLLVAETFAQKVD
AFMPEKNED
Enzyme 1 Number of Residues 369
Enzyme 1 Molecular Weight 41028.4
Enzyme 1 Theoretical pI 4.85
Enzyme 1 GO Classification
Function
Process
Component
Enzyme 1 General Function Posttranslational modification, protein turnover, chaperones
Enzyme 1 Specific Function Catalyzes the NAD-dependent oxidative cleavage of spermidine and the subsequent transfer of the butylamine moiety of spermidine to the epsilon-amino group of a specific lysine residue of the eIF-5A precursor protein to form the intermediate deoxyhypusine residue
Enzyme 1 Pathways
  • Protein modification
  • eIF5A hypusination
Enzyme 1 Reactions Not Available
Enzyme 1 Pfam Domain Function
Enzyme 1 Signals
  • None
Enzyme 1 Transmembrane Regions
  • None
Enzyme 1 Essentiality Not Available
Enzyme 1 GenBank ID Protein 50399584 Link Image
Enzyme 1 UniProtKB/Swiss-Prot ID Q6EWQ6 Link Image
Enzyme 1 UniProtKB/Swiss-Prot Entry Name DHYS_BOVIN Link Image
Enzyme 1 PDB ID 1RQD Link Image
Enzyme 1 PDB File Show
Enzyme 1 3D Structure
Enzyme 1 Cellular Location Not Available
Enzyme 1 Gene Sequence >1110 bp
ATGGAGGGTCCCCAGGAGAGGGAGGTGCCGGCGCCGGCACTGGCCGCCGTGCTGAAGCAC
AGTTCGGCACTGCCGTTCGAGACCGCGCAGGTGCGGGGCTACGACTTCAACCGTGGCGTG
GACTATCGCGCACTGCTAGAGGCTTTCAGCACCACTGGTTTCCAAGCCACCAACTTCGGG
CGCGCGGTACAGCAAGTCAACGCCATGATAGAGAAGAAACTCGAGCCGCTATCCGAGGAT
GAAGACCAACATGCAGACTTGACCCAGAGCCGACGCCCACTCACCGGCTGCACCATTTTT
CTGGGCTACACATCCAACCTCATCAGTTCAGGCATCCGTGAGACTATCCGTTACCTCGTG
CAGCACAACATGGTGGACGTCTTGGTGACCACAGCTGGGGGTGTGGAGGAGGATTTCATC
AAGTGCTTGGCGCCCACATACCTGGGCGAGTTCAGCCTCAGGGGGAAGGAGCTACGTGAG
AACGGGATCAACAGGATTGGAAACTTGCTGGTGCCCAATGACAATTACTGCAAGTTTGAG
GACTGGTTGATGCCCATTCTGGACCAGATGGTGCTGGAGCAGAACACAGAGGGTGTGAAG
TGGACACCTTCCAAGATGATCGCCCGGCTTGGCAAGGAGATAAACAACCCAGAGTCCGTG
TATTACTGGGCCCAGAAGAACCATATTCCTGTGTTGAGCCCGGCACTCACAGATGGCTCG
CTGGGTGACATGATCTTCTTCCACTCCTATAAGAACCCAGGTCTGGTCCTGGACATTGTT
GAGGACCTCAAGCTCATCAACACACAGGCCATCTTCGCCAAGCGTACGGGGATGATCATC
CTGGGTGGTGGCATGGTCAAGCACCACATCGCCAATGCCAACCTCATGCGGAATGGCGCT
GACTATGCCGTCTACATCAACACTGCCCAGGAGTTTGATGGCTCTGACTCAGGCGCCCGG
CCAGATGAAGCTGTCTCATGGGGCAAGATCCGGATGGATGCACAGCCTGTCAAGGTCTAT
GCTGATGCCTCCTTGGTCTTCCCGCTGCTTGTGGCTGAAACCTTTGCCCAGAAGGTAGAT
GCCTTCACGCCCGAGAAGAATGAGGACTGA
Enzyme 1 GenBank Gene ID AJ577610 Link Image
Enzyme 1 GeneCard ID DHPS Link Image
Enzyme 1 GenAtlas ID Not Available
Enzyme 1 HGNC ID Not Available
Enzyme 1 Chromosome Location Chromosome:1
Enzyme 1 Locus 19p13.2-p13.1
Enzyme 1 SNPs SNPJam Report Link Image
Enzyme 1 General References
  1. [PubMed Link Image]
Enzyme 1 Metabolite References Not Available