| Common Name |
N-Ferlioylglycyl-L-phenylalanine
| Description |
N-Ferlioylglycyl-L-phenylalanine is found in plises. N-Ferlioylglycyl-L-phenylalanine is a constituent of Medicago sativa (alfalfa).N-Ferlioylglycyl-L-phenylalanine belongs to the family of Peptides. These are compounds containing an amide derived from two or more amino carboxylic acid moleclies (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29356 (N-Ferlioylglycyl-L-phenylalanine)
| Synonyms |
Not Available
| Chemical Formlia |
C21H22N2O6
| Average Molecliar Weight |
398.4092
| Monoisotopic Molecliar Weight |
398.147786446
| IUPAC Name |
2-[(Z)-{1-hydroxy-2-[(Z)-[(2E)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino]ethylidene}amino]-3-phenylpropanoic acid
| Traditional Name |
2-[(Z)-{1-hydroxy-2-[(Z)-[(2E)-1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino]ethylidene}amino]-3-phenylpropanoic acid
| CAS Registry Number |
40747-82-8
| SMILES |
COC1=C(O)C=CC(C=CC(O)=NCC(O)=NC(CC2=CC=CC=C2)C(O)=O)=C1
| InChI Identifier |
InChI=1S/C21H22N2O6/c1-29-18-12-15(7-9-17(18)24)8-10-19(25)22-13-20(26)23-16(21(27)28)11-14-5-3-2-4-6-14/h2-10,12,16,24H,11,13H2,1H3,(H,22,25)(H,23,26)(H,27,28)/b10-8+
| InChI Key |
RMZPPYWIJILVLC-CSKARUKUSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as peptides. These are compounds containing an amide derived from two or more amino carboxylic acid moleclies (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Peptides
| Alternative Parents |
Phenylalanine and derivatives
N-acyl-alpha amino acids
Phenylpropanoic acids
Amphetamines and derivatives
Methoxyphenols
Styrenes
Phenoxy compounds
Anisoles
Methoxybenzenes
1-hydroxy-2-unsubstituted benzenoids
Alkyl aryl ethers
Propargyl-type 1,3-dipolar organic compounds
Carboximidic acids
Carboxylic acids
Monocarboxylic acids and derivatives
Carbonyl compounds
Organopnictogen compounds
Organonitrogen compounds
Hydrocarbon derivatives
Organic oxides
| Substituents |
Alpha peptide
Phenylalanine or derivatives
N-acyl-alpha-amino acid
N-acyl-alpha amino acid or derivatives
3-phenylpropanoic-acid
Alpha-amino acid or derivatives
Amphetamine or derivatives
Methoxyphenol
Phenoxy compound
Anisole
Phenol ether
Styrene
Methoxybenzene
Phenol
Alkyl aryl ether
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidic acid
Carboximidic acid derivative
Carboxylic acid
Ether
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic nitrogen compound
Organic oxide
Organooxygen compound
Carbonyl group
Organic oxygen compound
Organopnictogen compound
Organonitrogen compound
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
Not Available
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Cytoplasm
Extracellliar
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.013 mg/mLALOGPS
logP2.55ALOGPS
logP3.09ChemAxon
logS-4.5ALOGPS
pKa (Strongest Acidic)3.88ChemAxon
pKa (Strongest Basic)2.71ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area131.94 Å2ChemAxon
Rotatable Bond Count9ChemAxon
Refractivity107.27 m3·mol-1ChemAxon
Polarizability41.93 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
| Spectrum Type |
Description |
Splash Key |
|
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available
| Biological Properties |
| Cellliar Locations |
Cytoplasm
Extracellliar
| Biofluid Locations |
Not Available
| Tissue Location |
Not Available
| Pathways |
Not Available
| Normal Concentrations |
| Not Available |
| Abnormal Concentrations |
|
Not Available
| Associated Disorders and Diseases |
| Disease References |
None
| Associated OMIM IDs |
None
| External Links |
| DrugBank ID |
Not Available
| DrugBank Metabolite ID |
Not Available
| Phenol Explorer Compound ID |
Not Available
| Phenol Explorer Metabolite ID |
Not Available
| FoodDB ID |
FDB000421
| KNApSAcK ID |
Not Available
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29356
| Metagene Link |
HMDB29356
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: BMS-986020
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 27874831
