| Common Name |
Penmacric acid
| Description |
Penmacric acid is a constituent of the seeds of the famine feed Pentaclethra macrophylla.Penmacric acid belongs to the family of Alpha Amino Acids and Derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon)[1]. (Reference: [1] Amino Acid: http://en.wikipedia.org/wiki/Amino_acid).
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29436 (Penmacric acid)
| Synonyms |
| Value |
Source |
3-(1-Aminocarboxymethyl)-2-pyrrolidone-5-carboxylic acidHMDB
a-amino-5-Carboxy-2-oxo-3-pyrrolidineacetic acid, 9ciHMDB
| Chemical Formlia |
C7H10N2O5
| Average Molecliar Weight |
202.1647
| Monoisotopic Molecliar Weight |
202.05897144
| IUPAC Name |
4-[amino(carboxy)methyl]-5-oxopyrrolidine-2-carboxylic acid
| Traditional Name |
4-[amino(carboxy)methyl]-5-oxopyrrolidine-2-carboxylic acid
| CAS Registry Number |
55297-13-7
| SMILES |
NC(C1CC(NC1=O)C(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C7H10N2O5/c8-4(7(13)14)2-1-3(6(11)12)9-5(2)10/h2-4H,1,8H2,(H,9,10)(H,11,12)(H,13,14)
| InChI Key |
QEFCFJFZZLNSPP-UHFFFAOYSA-N
| Chemical Taxonomy |
| Classification |
Not classified
| 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 Solubility37.3 mg/mLALOGPS
logP-3.5ALOGPS
logP-4.4ChemAxon
logS-0.73ALOGPS
pKa (Strongest Acidic)1.66ChemAxon
pKa (Strongest Basic)8.49ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area129.72 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity41.92 m3·mol-1ChemAxon
Polarizability17.57 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, Positivesplash10-0a4r-0910000000-3600072b9506a8a1bde8View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-0bt9-1900000000-a2d5df2e0c14e36c89fdView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-03e9-9800000000-0beb1edaa0123037564bView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-0udi-2970000000-b9a25352f198cb20d40bView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-00e9-7910000000-b74949b56d8634b250a8View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-008c-9300000000-f68d59acd2ce97d155a6View in MoNA
| 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 |
FDB000541
| KNApSAcK ID |
Not Available
| Chemspider ID |
471952
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29436
| Metagene Link |
HMDB29436
| METLIN ID |
Not Available
| PubChem Compound |
541973
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: P7C3-A20
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: 9400006
