| Common Name |
Fukiic acid
| Description |
Fukiic acid is found in green vegetables. Fukiic acid is a hydrolysis produced from Petasites japonicus (sweet coltsfoot) Fukiic acid belongs to the family of Phenylpyruvic Acid Derivatives. These are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29496 (Fukiic acid)
| Synonyms |
| Value |
Source |
2-[(3,4-Dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioic acid, 9ciHMDB
3,4-Dihydroxybenzyltartaric acidHMDB
| Chemical Formlia |
C11H12O8
| Average Molecliar Weight |
272.2082
| Monoisotopic Molecliar Weight |
272.05321736
| IUPAC Name |
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioic acid
| Traditional Name |
(2R,3S)-2-[(3,4-dihydroxyphenyl)methyl]-2,3-dihydroxybutanedioic acid
| CAS Registry Number |
35388-56-8
| SMILES |
O[C@H](C(O)=O)[C@](O)(CC1=CC(O)=C(O)C=C1)C(O)=O
| InChI Identifier |
InChI=1S/C11H12O8/c12-6-2-1-5(3-7(6)13)4-11(19,10(17)18)8(14)9(15)16/h1-3,8,12-14,19H,4H2,(H,15,16)(H,17,18)/t8-,11-/m1/s1
| InChI Key |
PHFSBARLASYIFM-LDYMZIIASA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
| Kingdom |
Organic compounds
| Super Class |
Phenylpropanoids and polyketides
| Class |
Phenylpropanoic acids
| Sub Class |
Not Available
| Direct Parent |
Phenylpropanoic acids
| Alternative Parents |
Catechols
Sugar acids and derivatives
Beta hydroxy acids and derivatives
Monosaccharides
Dicarboxylic acids and derivatives
Alpha hydroxy acids and derivatives
Tertiary alcohols
Secondary alcohols
1,2-diols
Carboxylic acids
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
3-phenylpropanoic-acid
1,2-diphenol
Sugar acid
Phenol
Beta-hydroxy acid
Benzenoid
Monosaccharide
Hydroxy acid
Dicarboxylic acid or derivatives
Monocyclic benzene moiety
Alpha-hydroxy acid
Tertiary alcohol
Secondary alcohol
1,2-diol
Carboxylic acid
Carboxylic acid derivative
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
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 |
Liquid
| 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 Solubility22.0 mg/mLALOGPS
logP0.48ALOGPS
logP-0.35ChemAxon
logS-1.1ALOGPS
pKa (Strongest Acidic)2.99ChemAxon
pKa (Strongest Basic)-4.4ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count6ChemAxon
Polar Surface Area155.52 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity59.51 m3·mol-1ChemAxon
Polarizability23.85 Å3ChemAxon
Number of Rings1ChemAxon
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 |
FDB000629
| KNApSAcK ID |
Not Available
| Chemspider ID |
142167
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29496
| Metagene Link |
HMDB29496
| METLIN ID |
Not Available
| PubChem Compound |
161871
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: PHCCC
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: 19557182
