precursor

Showing entry for N-caproylhistidinol

Identification

PhytoHub ID
PHUB002326
Name
N-caproylhistidinol
Systematic Name
Not Available
Synonyms
  • HlC6
CAS Number
Not Available
Average Mass
239.319
Monoisotopic Mass
239.163376928
Chemical Formula
C12H21N3O2
IUPAC Name
Not Available
InChI Key
LIBFXSSDLJLEFT-NSHDSACASA-N
InChI Identifier
InChI=1S/C12H21N3O2/c1-2-3-4-5-12(17)15-11(8-16)6-10-7-13-9-14-10/h7,9,11,16H,2-6,8H2,1H3,(H,13,14)(H,15,17)/t11-/m0/s1
SMILES
CCCCCC(=O)N[C@H](CO)CC1=CNC=N1
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
Not Available
LogS (ALOGPS)
Not Available
LogP (ALOGPS)
Not Available
Hydrogen Acceptors
Not Available
Hydrogen Donors
Not Available
Rotatable Bond Count
Not Available
Polar Surface Area
Not Available
Refractivity
Not Available
Polarizability
Not Available
Formal Charge
Not Available
Physiological Charge
Not Available
pKa (strongest basic)
Not Available
pKa (strongest acidic)
Not Available
Number of Rings
Not Available
Rule of Five
No
Bioavailability
No
Ghose Filter
No
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

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

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks

Food Sources

NameGroup
TomatoVegetables, Fruit vegetables PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
N-caproylhistidinol N-caproylhistidinol glucuronidehumanurinehost metabolismNot AvailableNot AvailableNot Available Detailed Intervention Studies Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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