precursor

Showing entry for Spermidine

Identification

PhytoHub ID
PHUB000784
Name
Spermidine
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
145.25
Monoisotopic Mass
145.157897624
Chemical Formula
C7H19N3
IUPAC Name
(4-aminobutyl)(3-aminopropyl)amine
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
Similar Structures

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
Number of Rings
0
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Organonitrogen compounds
Super-class
Organic nitrogen compounds
Sub-class
Amines
Direct Parent Name
Dialkylamines
Alternative Parent Names
["Hydrocarbon derivatives", "Monoalkylamines", "Organopnictogen compounds"]
External Descriptor Annotations
["polyazaalkane", "triamine"]
Substituent Names
["Aliphatic acyclic compound", "Hydrocarbon derivative", "Organopnictogen compound", "Primary aliphatic amine", "Primary amine", "Secondary aliphatic amine"]

Spectra from Online Resources

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
OatCereals and cereal products PublicationsShow
pak-choiVegetables, Cabbages PublicationsShow
Radish, JapaneseVegetables, Root vegetables PublicationsShow
Soy beanSoy and soy products PublicationsShow
Sweet orangeFruit, Citrus PublicationsShow
TomatoVegetables, Fruit vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

Back