| Common Name |
S-Cysteinosuccinic acid
| Description |
S-Cysteinosuccinic acid is found in plises. S-Cysteinosuccinic acid is isolated from seeds of Vigna radiata (mung bean) S-cysteinosuccinic 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 HMDB29418 (S-Cysteinosuccinic acid)
| Synonyms |
| Value |
Source |
((2-amino-2-Carboxyethyl)thio)-butanedioic acidHMDB
2-amino-3-(1,2-dicarboxyethylthio)Propanoic acidHMDB
ADCHMDB
KI-IIHMDB
S-(1,2-Dicarboxyethyl)cysteineHMDB
[(2-amino-2-Carboxyethyl)thio]butanedioic acid, 9ciHMDB
[(2-amino-2-Carboxyethyl)thio]succinic acid, 8ciHMDB
| Chemical Formlia |
C7H11NO6S
| Average Molecliar Weight |
237.23
| Monoisotopic Molecliar Weight |
237.030707779
| IUPAC Name |
2-[(2-amino-2-carboxyethyl)slifanyl]butanedioic acid
| Traditional Name |
2-[(2-amino-2-carboxyethyl)slifanyl]butanedioic acid
| CAS Registry Number |
34317-60-7
| SMILES |
NC(CSC(CC(O)=O)C(O)=O)C(O)=O
| InChI Identifier |
InChI=1S/C7H11NO6S/c8-3(6(11)12)2-15-4(7(13)14)1-5(9)10/h3-4H,1-2,8H2,(H,9,10)(H,11,12)(H,13,14)
| InChI Key |
XPKKFTKCRVIDAG-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as alpha amino acids. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon).
| Kingdom |
Organic compounds
| Super Class |
Organic acids and derivatives
| Class |
Carboxylic acids and derivatives
| Sub Class |
Amino acids, peptides, and analogues
| Direct Parent |
Alpha amino acids
| Alternative Parents |
Tricarboxylic acids and derivatives
Thia fatty acids
Slifenyl compounds
Dialkylthioethers
Carboxylic acids
Monoalkylamines
Hydrocarbon derivatives
Carbonyl compounds
| Substituents |
Alpha-amino acid
Tricarboxylic acid or derivatives
Thia fatty acid
Fatty acyl
Dialkylthioether
Slifenyl compound
Thioether
Carboxylic acid
Hydrocarbon derivative
Primary amine
Organoslifur compound
Organooxygen compound
Organonitrogen compound
Primary aliphatic amine
Carbonyl group
Amine
Aliphatic acyclic compound
| Molecliar Framework |
Aliphatic acyclic 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 Point132 – 134 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility10.4 mg/mLALOGPS
logP-3.1ALOGPS
logP-3.4ChemAxon
logS-1.4ALOGPS
pKa (Strongest Acidic)1.65ChemAxon
pKa (Strongest Basic)9.14ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area137.92 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity49.64 m3·mol-1ChemAxon
Polarizability21.53 Å3ChemAxon
Number of Rings0ChemAxon
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 |
FDB000513
| KNApSAcK ID |
Not Available
| Chemspider ID |
148313
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29418
| Metagene Link |
HMDB29418
| METLIN ID |
Not Available
| PubChem Compound |
169591
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: BAY-876
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: 22738316
