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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2009-04-06 16:20:43 UTC
Update Date2020-02-26 21:37:05 UTC
HMDB IDHMDB0012189
Secondary Accession Numbers
  • HMDB12189
Metabolite Identification
Common NameAminopropylcadaverine
DescriptionAminopropylcadaverine,a polyamine, is the final product of aminopropylcadaverine biosynthesis pathway. Polyamines are important for cell growth and are believed to be involved in many processes including DNA, RNA, and protein synthesis, as well as membrane integrity and resistance to stress, to name a few. Cadaverine and aminopropylcadaverine are alternative polyamines that can at least partially substitute for purtrescine and spermidine, the primary polyamines found in E. coli. Lysine is decarboxylated to form cadaverine which is then converted to aminopropylcadaverine by the aminopropyltransferase, SpeE.
Structure
Data?1582753025
Synonyms
ValueSource
3-ApcadChEBI
N-(3-Aminopropyl)-1,5-pentanediamineChEBI
N-(3-Aminopropyl)cadaverineChEBI
N-3-Aminopropyl-1,5-diaminopentaneChEBI
Chemical FormulaC8H21N3
Average Molecular Weight159.2724
Monoisotopic Molecular Weight159.173547687
IUPAC Name(5-aminopentyl)(3-aminopropyl)amine
Traditional Nameaminopropylcadaverine
CAS Registry Number56-19-9
SMILES
NCCCCCNCCCN
InChI Identifier
InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2
InChI KeyQZBYOYPROVGOGE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
KingdomOrganic compounds
Super ClassOrganic nitrogen compounds
ClassOrganonitrogen compounds
Sub ClassAmines
Direct ParentDialkylamines
Alternative Parents
Substituents
  • Secondary aliphatic amine
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Primary amine
  • Primary aliphatic amine
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Source

Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility12.8 g/LALOGPS
logP-0.09ALOGPS
logP-0.7ChemAxon
logS-1.1ALOGPS
pKa (Strongest Basic)10.9ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area64.07 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity49.57 m³·mol⁻¹ChemAxon
Polarizability20.9 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+136.70131661259
DarkChem[M-H]-133.32231661259
DeepCCS[M+H]+139.67230932474
DeepCCS[M-H]-137.08230932474
DeepCCS[M-2H]-173.39130932474
DeepCCS[M+Na]+148.53230932474

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
AminopropylcadaverineNCCCCCNCCCN2147.7Standard polar33892256
AminopropylcadaverineNCCCCCNCCCN1517.3Standard non polar33892256
AminopropylcadaverineNCCCCCNCCCN1414.2Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Aminopropylcadaverine,1TMS,isomer #1C[Si](C)(C)NCCCCCNCCCN1734.3Semi standard non polar33892256
Aminopropylcadaverine,1TMS,isomer #1C[Si](C)(C)NCCCCCNCCCN1748.4Standard non polar33892256
Aminopropylcadaverine,1TMS,isomer #1C[Si](C)(C)NCCCCCNCCCN2669.5Standard polar33892256
Aminopropylcadaverine,1TMS,isomer #2C[Si](C)(C)NCCCNCCCCCN1725.5Semi standard non polar33892256
Aminopropylcadaverine,1TMS,isomer #2C[Si](C)(C)NCCCNCCCCCN1751.5Standard non polar33892256
Aminopropylcadaverine,1TMS,isomer #2C[Si](C)(C)NCCCNCCCCCN2664.9Standard polar33892256
Aminopropylcadaverine,1TMS,isomer #3C[Si](C)(C)N(CCCN)CCCCCN1640.4Semi standard non polar33892256
Aminopropylcadaverine,1TMS,isomer #3C[Si](C)(C)N(CCCN)CCCCCN1690.9Standard non polar33892256
Aminopropylcadaverine,1TMS,isomer #3C[Si](C)(C)N(CCCN)CCCCCN3031.2Standard polar33892256
Aminopropylcadaverine,2TMS,isomer #1C[Si](C)(C)NCCCCCNCCCN[Si](C)(C)C1897.3Semi standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #1C[Si](C)(C)NCCCCCNCCCN[Si](C)(C)C2025.8Standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #1C[Si](C)(C)NCCCCCNCCCN[Si](C)(C)C2151.4Standard polar33892256
Aminopropylcadaverine,2TMS,isomer #2C[Si](C)(C)N(CCCCCNCCCN)[Si](C)(C)C1945.6Semi standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #2C[Si](C)(C)N(CCCCCNCCCN)[Si](C)(C)C1973.4Standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #2C[Si](C)(C)N(CCCCCNCCCN)[Si](C)(C)C2585.4Standard polar33892256
Aminopropylcadaverine,2TMS,isomer #3C[Si](C)(C)NCCCCCN(CCCN)[Si](C)(C)C1803.6Semi standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #3C[Si](C)(C)NCCCCCN(CCCN)[Si](C)(C)C1912.9Standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #3C[Si](C)(C)NCCCCCN(CCCN)[Si](C)(C)C2496.6Standard polar33892256
Aminopropylcadaverine,2TMS,isomer #4C[Si](C)(C)N(CCCNCCCCCN)[Si](C)(C)C1929.8Semi standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #4C[Si](C)(C)N(CCCNCCCCCN)[Si](C)(C)C1973.1Standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #4C[Si](C)(C)N(CCCNCCCCCN)[Si](C)(C)C2580.3Standard polar33892256
Aminopropylcadaverine,2TMS,isomer #5C[Si](C)(C)NCCCN(CCCCCN)[Si](C)(C)C1827.1Semi standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #5C[Si](C)(C)NCCCN(CCCCCN)[Si](C)(C)C1910.1Standard non polar33892256
Aminopropylcadaverine,2TMS,isomer #5C[Si](C)(C)NCCCN(CCCCCN)[Si](C)(C)C2519.6Standard polar33892256
Aminopropylcadaverine,3TMS,isomer #1C[Si](C)(C)NCCCNCCCCCN([Si](C)(C)C)[Si](C)(C)C2076.7Semi standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #1C[Si](C)(C)NCCCNCCCCCN([Si](C)(C)C)[Si](C)(C)C2186.5Standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #1C[Si](C)(C)NCCCNCCCCCN([Si](C)(C)C)[Si](C)(C)C2051.7Standard polar33892256
Aminopropylcadaverine,3TMS,isomer #2C[Si](C)(C)NCCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C1921.0Semi standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #2C[Si](C)(C)NCCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C2136.2Standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #2C[Si](C)(C)NCCCCCN(CCCN[Si](C)(C)C)[Si](C)(C)C2059.7Standard polar33892256
Aminopropylcadaverine,3TMS,isomer #3C[Si](C)(C)NCCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C2066.4Semi standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #3C[Si](C)(C)NCCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C2181.7Standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #3C[Si](C)(C)NCCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C2045.4Standard polar33892256
Aminopropylcadaverine,3TMS,isomer #4C[Si](C)(C)N(CCCN)CCCCCN([Si](C)(C)C)[Si](C)(C)C2014.9Semi standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #4C[Si](C)(C)N(CCCN)CCCCCN([Si](C)(C)C)[Si](C)(C)C2126.2Standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #4C[Si](C)(C)N(CCCN)CCCCCN([Si](C)(C)C)[Si](C)(C)C2392.5Standard polar33892256
Aminopropylcadaverine,3TMS,isomer #5C[Si](C)(C)N(CCCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C2059.2Semi standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #5C[Si](C)(C)N(CCCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C2136.0Standard non polar33892256
Aminopropylcadaverine,3TMS,isomer #5C[Si](C)(C)N(CCCCCN)CCCN([Si](C)(C)C)[Si](C)(C)C2408.0Standard polar33892256
Aminopropylcadaverine,4TMS,isomer #1C[Si](C)(C)N(CCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2287.7Semi standard non polar33892256
Aminopropylcadaverine,4TMS,isomer #1C[Si](C)(C)N(CCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2333.9Standard non polar33892256
Aminopropylcadaverine,4TMS,isomer #1C[Si](C)(C)N(CCCCCNCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2001.2Standard polar33892256
Aminopropylcadaverine,4TMS,isomer #2C[Si](C)(C)NCCCN(CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2136.4Semi standard non polar33892256
Aminopropylcadaverine,4TMS,isomer #2C[Si](C)(C)NCCCN(CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2296.0Standard non polar33892256
Aminopropylcadaverine,4TMS,isomer #2C[Si](C)(C)NCCCN(CCCCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2030.1Standard polar33892256
Aminopropylcadaverine,4TMS,isomer #3C[Si](C)(C)NCCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2143.0Semi standard non polar33892256
Aminopropylcadaverine,4TMS,isomer #3C[Si](C)(C)NCCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2304.2Standard non polar33892256
Aminopropylcadaverine,4TMS,isomer #3C[Si](C)(C)NCCCCCN(CCCN([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C2028.2Standard polar33892256
Aminopropylcadaverine,5TMS,isomer #1C[Si](C)(C)N(CCCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C2384.3Semi standard non polar33892256
Aminopropylcadaverine,5TMS,isomer #1C[Si](C)(C)N(CCCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C2435.8Standard non polar33892256
Aminopropylcadaverine,5TMS,isomer #1C[Si](C)(C)N(CCCCCN([Si](C)(C)C)[Si](C)(C)C)CCCN([Si](C)(C)C)[Si](C)(C)C1991.4Standard polar33892256
Aminopropylcadaverine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCCNCCCN1944.0Semi standard non polar33892256
Aminopropylcadaverine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCCNCCCN1936.3Standard non polar33892256
Aminopropylcadaverine,1TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCCNCCCN2698.9Standard polar33892256
Aminopropylcadaverine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCNCCCCCN1940.7Semi standard non polar33892256
Aminopropylcadaverine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCNCCCCCN1940.6Standard non polar33892256
Aminopropylcadaverine,1TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCNCCCCCN2697.5Standard polar33892256
Aminopropylcadaverine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN)CCCCCN1892.1Semi standard non polar33892256
Aminopropylcadaverine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN)CCCCCN1884.7Standard non polar33892256
Aminopropylcadaverine,1TBDMS,isomer #3CC(C)(C)[Si](C)(C)N(CCCN)CCCCCN3087.0Standard polar33892256
Aminopropylcadaverine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCCNCCCN[Si](C)(C)C(C)(C)C2346.7Semi standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCCNCCCN[Si](C)(C)C(C)(C)C2376.8Standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCCCNCCCN[Si](C)(C)C(C)(C)C2261.3Standard polar33892256
Aminopropylcadaverine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCCCNCCCN)[Si](C)(C)C(C)(C)C2368.1Semi standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCCCNCCCN)[Si](C)(C)C(C)(C)C2343.0Standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #2CC(C)(C)[Si](C)(C)N(CCCCCNCCCN)[Si](C)(C)C(C)(C)C2540.1Standard polar33892256
Aminopropylcadaverine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCN(CCCN)[Si](C)(C)C(C)(C)C2295.2Semi standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCN(CCCN)[Si](C)(C)C(C)(C)C2317.8Standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCN(CCCN)[Si](C)(C)C(C)(C)C2510.6Standard polar33892256
Aminopropylcadaverine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCNCCCCCN)[Si](C)(C)C(C)(C)C2348.6Semi standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCNCCCCCN)[Si](C)(C)C(C)(C)C2349.3Standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCNCCCCCN)[Si](C)(C)C(C)(C)C2537.9Standard polar33892256
Aminopropylcadaverine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCN(CCCCCN)[Si](C)(C)C(C)(C)C2315.2Semi standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCN(CCCCCN)[Si](C)(C)C(C)(C)C2318.7Standard non polar33892256
Aminopropylcadaverine,2TBDMS,isomer #5CC(C)(C)[Si](C)(C)NCCCN(CCCCCN)[Si](C)(C)C(C)(C)C2529.2Standard polar33892256
Aminopropylcadaverine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCNCCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2750.1Semi standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCNCCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2713.9Standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #1CC(C)(C)[Si](C)(C)NCCCNCCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2329.1Standard polar33892256
Aminopropylcadaverine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2660.2Semi standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2674.9Standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCCCN(CCCN[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2361.6Standard polar33892256
Aminopropylcadaverine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2747.2Semi standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2713.4Standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2327.7Standard polar33892256
Aminopropylcadaverine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCN)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2675.6Semi standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCN)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2646.6Standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #4CC(C)(C)[Si](C)(C)N(CCCN)CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2520.8Standard polar33892256
Aminopropylcadaverine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2714.7Semi standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2657.6Standard non polar33892256
Aminopropylcadaverine,3TBDMS,isomer #5CC(C)(C)[Si](C)(C)N(CCCCCN)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2530.8Standard polar33892256
Aminopropylcadaverine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3094.7Semi standard non polar33892256
Aminopropylcadaverine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2992.6Standard non polar33892256
Aminopropylcadaverine,4TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCCNCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2385.8Standard polar33892256
Aminopropylcadaverine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCN(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3038.8Semi standard non polar33892256
Aminopropylcadaverine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCN(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2942.8Standard non polar33892256
Aminopropylcadaverine,4TBDMS,isomer #2CC(C)(C)[Si](C)(C)NCCCN(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2435.8Standard polar33892256
Aminopropylcadaverine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3051.7Semi standard non polar33892256
Aminopropylcadaverine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2952.4Standard non polar33892256
Aminopropylcadaverine,4TBDMS,isomer #3CC(C)(C)[Si](C)(C)NCCCCCN(CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2434.7Standard polar33892256
Aminopropylcadaverine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3387.3Semi standard non polar33892256
Aminopropylcadaverine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C3167.8Standard non polar33892256
Aminopropylcadaverine,5TBDMS,isomer #1CC(C)(C)[Si](C)(C)N(CCCCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)CCCN([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C2487.7Standard polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Aminopropylcadaverine GC-MS (Non-derivatized) - 70eV, Positivesplash10-001r-9200000000-150dbf6e56c849e291e92017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Aminopropylcadaverine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 10V, Positive-QTOFsplash10-01ox-1900000000-a128aaacba738efa97702015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 20V, Positive-QTOFsplash10-002o-8900000000-df1ace1cfe224ef747452015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 40V, Positive-QTOFsplash10-0a4u-9100000000-8580856432f806eb8ae82015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 10V, Negative-QTOFsplash10-0a4i-0900000000-13aa39d1e12262059dba2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 20V, Negative-QTOFsplash10-0a4i-2900000000-41499c4d711c1b42338b2015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 40V, Negative-QTOFsplash10-0fl3-9200000000-f9c32571b31f3c1035862015-09-15Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 10V, Negative-QTOFsplash10-0a4i-0900000000-906372c86eba039a1a112021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 20V, Negative-QTOFsplash10-0a4i-0900000000-71e60581e7c8c6d71d732021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 40V, Negative-QTOFsplash10-00dl-9000000000-dfa02465a891f71be69c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 10V, Positive-QTOFsplash10-03di-3900000000-8fac166fde506890194c2021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 20V, Positive-QTOFsplash10-014i-9100000000-246b12d853e43d3e8ba52021-09-22Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Aminopropylcadaverine 40V, Positive-QTOFsplash10-0a4l-9000000000-20becf704a1e9cf8689c2021-09-22Wishart LabView Spectrum

NMR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted 1D NMR13C NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 100 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 200 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 300 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 500 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 600 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 800 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR13C NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Predicted 1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)2021-09-29Wishart LabView Spectrum
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB028841
KNApSAcK IDNot Available
Chemspider ID58969
KEGG Compound IDC16565
BioCyc IDCPD0-1065
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound65523
PDB IDNot Available
ChEBI ID64860
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in catalytic activity
Specific function:
Catalyzes the production of spermidine from putrescine and decarboxylated S-adenosylmethionine (dcSAM). Has a strong preference for putrescine as substrate, and has very low activity towards 1,3-diaminopropane. Has extremely low activity towards spermidine.
Gene Name:
SRM
Uniprot ID:
P19623
Molecular weight:
33824.455
Reactions
S-Adenosylmethioninamine + Cadaverine → 5'-Methylthioadenosine + Aminopropylcadaverinedetails