| Common Name |
L-cis-3-Amino-2-pyrrolidinecarboxylic acid
| Description |
L-cis-3-Amino-2-pyrrolidinecarboxylic acid is found in mushrooms. L-cis-3-Amino-2-pyrrolidinecarboxylic acid is isolated from Morchella esclienta (common morel) L-cis-3-Amino-2-pyrrolidinecarboxylic 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 |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB29396 (L-cis-3-Amino-2-pyrrolidinecarboxylic acid)
| Synonyms |
| Value |
Source |
L-cis-3-AminoprolineHMDB
| Chemical Formlia |
C5H10N2O2
| Average Molecliar Weight |
130.1451
| Monoisotopic Molecliar Weight |
130.074227574
| IUPAC Name |
3-aminopyrrolidine-2-carboxylic acid
| Traditional Name |
3-aminopyrrolidine-2-carboxylic acid
| CAS Registry Number |
25876-88-4
| SMILES |
NC1CCNC1C(O)=O
| InChI Identifier |
InChI=1S/C5H10N2O2/c6-3-1-2-7-4(3)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)
| InChI Key |
VJLXSTXGGXYQCT-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as proline and derivatives. These are compounds containing proline or a derivative thereof resliting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Organic acids and derivatives
| Sub Class |
Carboxylic acids and derivatives
| Direct Parent |
Proline and derivatives
| Alternative Parents |
Alpha amino acids
Pyrrolidine carboxylic acids
Amino acids
Monocarboxylic acids and derivatives
Dialkylamines
Carboxylic acids
Azacyclic compounds
Organopnictogen compounds
Organic oxides
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Proline or derivatives
Alpha-amino acid
Pyrrolidine carboxylic acid
Pyrrolidine carboxylic acid or derivatives
Pyrrolidine
Amino acid
Carboxylic acid
Azacycle
Organoheterocyclic compound
Secondary amine
Secondary aliphatic amine
Monocarboxylic acid or derivatives
Organic nitrogen compound
Organic oxygen compound
Primary amine
Organooxygen compound
Organonitrogen compound
Organopnictogen compound
Primary aliphatic amine
Organic oxide
Hydrocarbon derivative
Carbonyl group
Amine
Aliphatic heteromonocyclic compound
| Molecliar Framework |
Aliphatic heteromonocyclic 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 Point215 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility293.0 mg/mLALOGPS
logP-3.1ALOGPS
logP-3.8ChemAxon
logS0.35ALOGPS
pKa (Strongest Acidic)1.59ChemAxon
pKa (Strongest Basic)10.84ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area75.35 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity31.04 m3·mol-1ChemAxon
Polarizability12.69 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, Positivesplash10-03e9-2900000000-f162b090a7100e2db22aView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-03di-8900000000-867e5b2ec02907a4ba85View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0gi3-9000000000-ea6428a48213ecbcee5fView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-004r-6900000000-80a0c6a0089a8f650321View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-01ri-9600000000-7e48ee1222177452c968View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-014r-9100000000-112f0c10008b73308350View 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 |
FDB000485
| KNApSAcK ID |
Not Available
| Chemspider ID |
13605823
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29396
| Metagene Link |
HMDB29396
| METLIN ID |
Not Available
| PubChem Compound |
21998160
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Hypericin
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: 21558435
