Identification

PhytoHub ID
PHUB000784
Name
Spermidine
Synonyms
Not Available
CAS Number
Not Available
Average Mass
145.2459
Monoisotopic Mass
145.157897623
Chemical Formula
C7H19N3
IUPAC Name
spermidine
InChI Key
ATHGHQPFGPMSJY-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
SMILES
NCCCCNCCCN
Structure

Calculated Properties

Solubility (ALOGPS)
3.27e+01 g/l
LogS (ALOGPS)
-0.65
LogP (ALOGPS)
-0.62
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
7
Polar Surface Area
64.07
Refractivity
44.968399999999995
Polarizability
18.802478340004217
Formal Charge
0
Physiological Charge
3
pKa (strongest basic)
10.676624477088431
pKa (strongest acidic)
Not Available
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Taxonomy

Family
N-containing compounds
Class
Amines
Sub-class
Not Available

Spectra

Record IDSourceDescriptionView
GLS00123MassBankEI-B Spectrum - -, unspecifiedView Spectra
KNA00062MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KNA00461MassBankLC-ESI-ITFT Spectrum - 35eV, unspecifiedView Spectra
KO003972MassBankLC-ESI-QQ Spectrum - 10 V, unspecifiedView Spectra
KO003973MassBankLC-ESI-QQ Spectrum - 20 V, unspecifiedView Spectra
KO003974MassBankLC-ESI-QQ Spectrum - 30 V, unspecifiedView Spectra
KO003975MassBankLC-ESI-QQ Spectrum - 40 V, unspecifiedView Spectra
KO003976MassBankLC-ESI-QQ Spectrum - 50 V, unspecifiedView Spectra
KZ000266MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
KZ000267MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
OUF00462MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PB000483MassBankLC-ESI-QTOF Spectrum - 15 eV, unspecifiedView Spectra
PB000484MassBankLC-ESI-QTOF Spectrum - 25 eV, unspecifiedView Spectra
PB000485MassBankLC-ESI-QTOF Spectrum - 35 eV, unspecifiedView Spectra
PB000486MassBankLC-ESI-QTOF Spectrum - 45 eV, unspecifiedView Spectra
PR010234MassBankGC-EI-TOF Spectrum - -, unspecifiedView Spectra
PS034101ReSpectN/A Spectrum - 10, [M+H]+View Spectra
PS034102ReSpectN/A Spectrum - 20, [M+H]+View Spectra
PS034103ReSpectN/A Spectrum - 30, [M+H]+View Spectra

Food Sources

NameGroup
BroccoliVegetables, Cabbages PublicationsShow
CauliflowerVegetables, Cabbages PublicationsShow
CeleriacVegetables, Root vegetables PublicationsShow
LentilsPulses and beans PublicationsShow
Mung beanPulses and beans PublicationsShow
pak-choiVegetables, Cabbages PublicationsShow
Radish, JapaneseVegetables, Root vegetables PublicationsShow
Soy beanSoy and soy products PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow

Metabolism

No metabolism information available

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