Spermidine
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
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
External Links
- ChEBI
- 16610
- PubChem
- 1102
- Chemistry Dashboard
- DTXSID4036645
- KNApSAcK
- C00001431
- MetaboLights
- MTBLC16610
- PeakForestCompound
- 000609
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 ID | Source | Description | View |
---|---|---|---|
GLS00123 | MassBank | EI-B Spectrum - -, unspecified | View Spectra |
KNA00062 | MassBank | LC-ESI-ITFT Spectrum - 35eV, unspecified | View Spectra |
KNA00461 | MassBank | LC-ESI-ITFT Spectrum - 35eV, unspecified | View Spectra |
KO003972 | MassBank | LC-ESI-QQ Spectrum - 10 V, unspecified | View Spectra |
KO003973 | MassBank | LC-ESI-QQ Spectrum - 20 V, unspecified | View Spectra |
KO003974 | MassBank | LC-ESI-QQ Spectrum - 30 V, unspecified | View Spectra |
KO003975 | MassBank | LC-ESI-QQ Spectrum - 40 V, unspecified | View Spectra |
KO003976 | MassBank | LC-ESI-QQ Spectrum - 50 V, unspecified | View Spectra |
KZ000266 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
KZ000267 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
OUF00462 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PB000483 | MassBank | LC-ESI-QTOF Spectrum - 15 eV, unspecified | View Spectra |
PB000484 | MassBank | LC-ESI-QTOF Spectrum - 25 eV, unspecified | View Spectra |
PB000485 | MassBank | LC-ESI-QTOF Spectrum - 35 eV, unspecified | View Spectra |
PB000486 | MassBank | LC-ESI-QTOF Spectrum - 45 eV, unspecified | View Spectra |
PR010234 | MassBank | GC-EI-TOF Spectrum - -, unspecified | View Spectra |
PS034101 | ReSpect | N/A Spectrum - 10, [M+H]+ | View Spectra |
PS034102 | ReSpect | N/A Spectrum - 20, [M+H]+ | View Spectra |
PS034103 | ReSpect | N/A Spectrum - 30, [M+H]+ | View Spectra |
Spectra from Phytohub
|
Food Sources
Name | Group | |||
---|---|---|---|---|
Broccoli | Vegetables, Cabbages | Publications | Show | |
Cauliflower | Vegetables, Cabbages | Publications | Show | |
Celeriac | Vegetables, Root vegetables | Publications | Show | |
Lentils | Pulses and beans | Publications | Show | |
Mung bean | Pulses and beans | Publications | Show | |
Oat | Cereals and cereal products | Publications | Show | |
pak-choi | Vegetables, Cabbages | Publications | Show | |
Radish, Japanese | Vegetables, Root vegetables | Publications | Show | |
Soy bean | Soy and soy products | Publications | Show | |
Sweet orange | Fruit, Citrus | Publications | Show | |
Tomato | Vegetables, Fruit vegetables | Publications | Show |
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