MiMeDB: Showing metabocard for Aminopropylcadaverine (MMDBc0029920)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-11-17 23:46:52 UTC

Update Date

2022-08-31 17:37:37 UTC

Metabolite ID

MMDBc0029920

Metabolite Identification

Common Name

Aminopropylcadaverine

Description

Aminopropylcadaverine,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

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0012189
     RDKit          3D
Aminopropylcadaverine
 32 31  0  0  0  0  0  0  0  0999 V2000
    4.3757    1.2741   -0.1891 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    0.2018   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -0.5538    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   -1.6768    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -1.1710   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0939   -0.1942    0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722    0.3541   -0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -0.4959   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2836    0.3460   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6168    1.4528   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635    0.9166    1.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    2.1367    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    1.0012    0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    0.6341   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398   -0.4473   -1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819   -1.0276    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5881    0.1506    1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6248   -2.4247   -0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6913   -2.1085    1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -0.6857   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708   -2.0324   -0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907   -0.6754    1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    0.6769    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830    1.1956   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -1.3166   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449   -0.9171    0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1683   -0.2959   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311    0.7239   -2.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3871    2.1446   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    2.1011    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729    0.5259    1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7642    0.1868    0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
M  END

HMDB0012189
     RDKit          3D
Aminopropylcadaverine
 32 31  0  0  0  0  0  0  0  0999 V2000
    4.3757    1.2741   -0.1891 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    0.2018   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -0.5538    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   -1.6768    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -1.1710   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0939   -0.1942    0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722    0.3541   -0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -0.4959   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2836    0.3460   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6168    1.4528   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635    0.9166    1.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    2.1367    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    1.0012    0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    0.6341   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398   -0.4473   -1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819   -1.0276    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5881    0.1506    1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6248   -2.4247   -0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6913   -2.1085    1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -0.6857   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708   -2.0324   -0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907   -0.6754    1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    0.6769    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830    1.1956   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -1.3166   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449   -0.9171    0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1683   -0.2959   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311    0.7239   -2.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3871    2.1446   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    2.1011    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729    0.5259    1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7642    0.1868    0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
M  END

COMPND    HMDB0012189
HETATM    1  N1  UNL     1       4.376   1.274  -0.189  1.00  0.00           N  
HETATM    2  C1  UNL     1       3.491   0.202  -0.588  1.00  0.00           C  
HETATM    3  C2  UNL     1       2.995  -0.554   0.626  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.069  -1.677   0.253  1.00  0.00           C  
HETATM    5  C4  UNL     1       0.844  -1.171  -0.494  1.00  0.00           C  
HETATM    6  C5  UNL     1       0.094  -0.194   0.376  1.00  0.00           C  
HETATM    7  N2  UNL     1      -1.072   0.354  -0.205  1.00  0.00           N  
HETATM    8  C6  UNL     1      -2.177  -0.496  -0.426  1.00  0.00           C  
HETATM    9  C7  UNL     1      -3.284   0.346  -1.041  1.00  0.00           C  
HETATM   10  C8  UNL     1      -3.617   1.453  -0.085  1.00  0.00           C  
HETATM   11  N3  UNL     1      -4.063   0.917   1.164  1.00  0.00           N  
HETATM   12  H1  UNL     1       3.841   2.137   0.038  1.00  0.00           H  
HETATM   13  H2  UNL     1       5.002   1.001   0.578  1.00  0.00           H  
HETATM   14  H3  UNL     1       2.612   0.634  -1.112  1.00  0.00           H  
HETATM   15  H4  UNL     1       4.040  -0.447  -1.293  1.00  0.00           H  
HETATM   16  H5  UNL     1       3.882  -1.028   1.114  1.00  0.00           H  
HETATM   17  H6  UNL     1       2.588   0.151   1.360  1.00  0.00           H  
HETATM   18  H7  UNL     1       2.625  -2.425  -0.322  1.00  0.00           H  
HETATM   19  H8  UNL     1       1.691  -2.108   1.216  1.00  0.00           H  
HETATM   20  H9  UNL     1       1.100  -0.686  -1.448  1.00  0.00           H  
HETATM   21  H10 UNL     1       0.171  -2.032  -0.683  1.00  0.00           H  
HETATM   22  H11 UNL     1      -0.191  -0.675   1.343  1.00  0.00           H  
HETATM   23  H12 UNL     1       0.760   0.677   0.648  1.00  0.00           H  
HETATM   24  H13 UNL     1      -0.983   1.196  -0.766  1.00  0.00           H  
HETATM   25  H14 UNL     1      -1.995  -1.317  -1.154  1.00  0.00           H  
HETATM   26  H15 UNL     1      -2.545  -0.917   0.516  1.00  0.00           H  
HETATM   27  H16 UNL     1      -4.168  -0.296  -1.229  1.00  0.00           H  
HETATM   28  H17 UNL     1      -2.931   0.724  -2.019  1.00  0.00           H  
HETATM   29  H18 UNL     1      -4.387   2.145  -0.513  1.00  0.00           H  
HETATM   30  H19 UNL     1      -2.730   2.101   0.131  1.00  0.00           H  
HETATM   31  H20 UNL     1      -3.273   0.526   1.714  1.00  0.00           H  
HETATM   32  H21 UNL     1      -4.764   0.187   0.988  1.00  0.00           H  
CONECT    1    2   12   13
CONECT    2    3   14   15
CONECT    3    4   16   17
CONECT    4    5   18   19
CONECT    5    6   20   21
CONECT    6    7   22   23
CONECT    7    8   24
CONECT    8    9   25   26
CONECT    9   10   27   28
CONECT   10   11   29   30
CONECT   11   31   32
END

HMDB0012189
     RDKit          3D
Aminopropylcadaverine
 32 31  0  0  0  0  0  0  0  0999 V2000
    4.3757    1.2741   -0.1891 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4912    0.2018   -0.5880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9950   -0.5538    0.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695   -1.6768    0.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8437   -1.1710   -0.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0939   -0.1942    0.3757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0722    0.3541   -0.2047 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1769   -0.4959   -0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2836    0.3460   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6168    1.4528   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0635    0.9166    1.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8409    2.1367    0.0378 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0023    1.0012    0.5780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6118    0.6341   -1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0398   -0.4473   -1.2933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8819   -1.0276    1.1144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5881    0.1506    1.3603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6248   -2.4247   -0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6913   -2.1085    1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0998   -0.6857   -1.4484 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708   -2.0324   -0.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1907   -0.6754    1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7596    0.6769    0.6476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9830    1.1956   -0.7659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9947   -1.3166   -1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5449   -0.9171    0.5161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1683   -0.2959   -1.2293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9311    0.7239   -2.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3871    2.1446   -0.5129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7304    2.1011    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2729    0.5259    1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7642    0.1868    0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  6 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 10 29  1  0
 10 30  1  0
 11 31  1  0
 11 32  1  0
M  END

Synonyms

Value	Source
3-Apcad	ChEBI
N-(3-Aminopropyl)-1,5-pentanediamine	ChEBI
N-(3-Aminopropyl)cadaverine	ChEBI
N-3-Aminopropyl-1,5-diaminopentane	ChEBI

Molecular Formula

C₈H₂₁N₃

Average Mass

159.2724

Monoisotopic Mass

159.173547687

IUPAC Name

(5-aminopentyl)(3-aminopropyl)amine

Traditional Name

aminopropylcadaverine

CAS Registry Number

56-19-9

SMILES

NCCCCCNCCCN

InChI Identifier

InChI=1S/C8H21N3/c9-5-2-1-3-7-11-8-4-6-10/h11H,1-10H2

InChI Key

QZBYOYPROVGOGE-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.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Dialkylamines

Alternative Parents

Substituents

Secondary aliphatic amine
Organopnictogen compound
Hydrocarbon derivative
Primary amine
Primary aliphatic amine
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

triamine (CHEBI:64860 )
polyazaalkane (CHEBI:64860 )

Functional Ontology

Not Available

Physical Properties

State

Solid

Predicted Properties

Property	Value	Source
Water Solubility	12.8 g/L	ALOGPS
logP	-0.09	ALOGPS
logP	-0.7	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Basic)	10.9	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	64.07 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	49.57 m³·mol⁻¹	ChemAxon
Polarizability	20.9 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-001r-9200000000-150dbf6e56c849e291e9	2017-09-01	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-01ox-1900000000-a128aaacba738efa9770	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-002o-8900000000-df1ace1cfe224ef74745	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4u-9100000000-8580856432f806eb8ae8	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-13aa39d1e12262059dba	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-2900000000-41499c4d711c1b42338b	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0fl3-9200000000-f9c32571b31f3c103586	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0a4i-0900000000-906372c86eba039a1a11	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0a4i-0900000000-71e60581e7c8c6d71d73	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-00dl-9000000000-dfa02465a891f71be69c	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-03di-3900000000-8fac166fde506890194c	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9100000000-246b12d853e43d3e8ba5	2021-09-22	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4l-9000000000-20becf704a1e9cf8689c	2021-09-22	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)		2021-09-29	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191888	Spermidine synthase	Enzyme	P19623	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank

Metabolic Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0015217	Cadaverine	Aminopropylcadaverine	Polyamine aminopropyltransferase	Synthesis	RHEA	34755880
MMDBr0019225	Cadaverine	Hydrogen Ion	Polyamine aminopropyltransferase	Synthesis	PathBank	31602464

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria	Proteobacteria	1	Human ; Human feces; Human feces; pleural fluid plaque; bal; Human stool	Unknown
Archaea/Archaea	Euryarchaeota	2

Exposure Sources

Source Type	Source Sub-type	Species	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

HMDB0012189

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB028841

KNApSAcK ID

Not Available

Chemspider ID

58969

KEGG Compound ID

C16565

BioCyc ID

CPD0-1065

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

65523

PDB ID

Not Available

ChEBI ID

64860

Food Biomarker Ontology

Not Available

References

Synthesis Reference

Not Available

General References

Wishart DS, Li C, Marcu A, Badran H, Pon A, Budinski Z, Patron J, Lipton D, Cao X, Oler E, Li K, Paccoud M, Hong C, Guo AC, Chan C, Wei W, Ramirez-Gaona M: PathBank: a comprehensive pathway database for model organisms. Nucleic Acids Res. 2020 Jan 8;48(D1):D470-D478. doi: 10.1093/nar/gkz861. [PubMed:31602464 ]
Bansal P, Morgat A, Axelsen KB, Muthukrishnan V, Coudert E, Aimo L, Hyka-Nouspikel N, Gasteiger E, Kerhornou A, Neto TB, Pozzato M, Blatter MC, Ignatchenko A, Redaschi N, Bridge A: Rhea, the reaction knowledgebase in 2022. Nucleic Acids Res. 2022 Jan 7;50(D1):D693-D700. doi: 10.1093/nar/gkab1016. [PubMed:34755880 ]

Showing metabocard for Aminopropylcadaverine (MMDBc0029920)

MOL for #<Metabolite:0x000055e8c906ecf0>

3D MOL for #<Metabolite:0x000055e8c906ecf0>

3D SDF for #<Metabolite:0x000055e8c906ecf0>

3D-SDF for #<Metabolite:0x000055e8c906ecf0>

PDB for #<Metabolite:0x000055e8c906ecf0>

3D PDB for #<Metabolite:0x000055e8c906ecf0>

SMILES for #<Metabolite:0x000055e8c906ecf0>

INCHI for #<Metabolite:0x000055e8c906ecf0>

Structure for #<Metabolite:0x000055e8c906ecf0>

3D Structure for #<Metabolite:0x000055e8c906ecf0>