N-Carboxymethionine
Identification
- Name
- N-Carboxymethionine
- Accession Number
- DB02899
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for N-Carboxymethionine (DB02899)
- Weight
- Average: 193.221
Monoisotopic: 193.040878535 - Chemical Formula
- C6H11NO4S
- Synonyms
- Not Available
Pharmacology
- Indication
- Not Available
- Contraindications & Blackbox Warnings
Learn about our commercial Contraindications & Blackbox Warnings data.
Learn More- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UThymidylate synthase Not Available Escherichia coli (strain K12) UUrease subunit alpha Not Available Bacillus pasteurii UUrease subunit beta Not Available Bacillus pasteurii UUrease subunit gamma Not Available Bacillus pasteurii ULight-harvesting protein B-800/850 alpha chain Not Available Rhodopseudomonas acidophila ULight-harvesting protein B-800/850 beta chain Not Available Rhodopseudomonas acidophila UProbable rRNA methylase Not Available Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) - Absorption
- Not Available
- Volume of distribution
- Not Available
- Protein binding
- Not Available
- Metabolism
- Not Available
- Route of elimination
- Not Available
- Half-life
- Not Available
- Clearance
- Not Available
- Adverse Effects
Learn about our commercial Adverse Effects data.
Learn More- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as methionine and derivatives. These are compounds containing methionine or a derivative thereof resulting from reaction of methionine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Methionine and derivatives
- Alternative Parents
- Thia fatty acids / Organic carbonic acids and derivatives / Carbamic acids / Sulfenyl compounds / Monocarboxylic acids and derivatives / Dialkylthioethers / Carboxylic acids / Organopnictogen compounds / Organonitrogen compounds / Organic oxides show 2 more
- Substituents
- Aliphatic acyclic compound / Carbamic acid / Carbamic acid derivative / Carbonic acid derivative / Carbonyl group / Carboxylic acid / Dialkylthioether / Fatty acid / Fatty acyl / Hydrocarbon derivative show 12 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- non-proteinogenic L-alpha-amino acid, L-methionine derivative (CHEBI:41696)
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- LWQBAQJPCYBWJQ-BYPYZUCNSA-N
- InChI
- InChI=1S/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1
- IUPAC Name
- (2S)-2-(carboxyamino)-4-(methylsulfanyl)butanoic acid
- SMILES
- [H][C@@](CCSC)(NC(O)=O)C(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1aiq / 1ajm / 1bjg / 1bq1 / 1dna / 1ev5 / 1ev8 / 1evf / 1evg / 1f4b … show 67 more
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 7.08 mg/mL ALOGPS logP -0.03 ALOGPS logP 0.36 ChemAxon logS -1.4 ALOGPS pKa (Strongest Acidic) 3.48 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 4 ChemAxon Hydrogen Donor Count 3 ChemAxon Polar Surface Area 86.63 Å2 ChemAxon Rotatable Bond Count 5 ChemAxon Refractivity 43.88 m3·mol-1 ChemAxon Polarizability 18.44 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption + 0.9103 Blood Brain Barrier + 0.893 Caco-2 permeable - 0.6851 P-glycoprotein substrate Non-substrate 0.5058 P-glycoprotein inhibitor I Non-inhibitor 0.934 P-glycoprotein inhibitor II Non-inhibitor 0.965 Renal organic cation transporter Non-inhibitor 0.9451 CYP450 2C9 substrate Non-substrate 0.6477 CYP450 2D6 substrate Non-substrate 0.7956 CYP450 3A4 substrate Non-substrate 0.6227 CYP450 1A2 substrate Non-inhibitor 0.7804 CYP450 2C9 inhibitor Non-inhibitor 0.8653 CYP450 2D6 inhibitor Non-inhibitor 0.9537 CYP450 2C19 inhibitor Non-inhibitor 0.8781 CYP450 3A4 inhibitor Non-inhibitor 0.9508 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9927 Ames test Non AMES toxic 0.792 Carcinogenicity Non-carcinogens 0.961 Biodegradation Not ready biodegradable 0.6198 Rat acute toxicity 1.6656 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9707 hERG inhibition (predictor II) Non-inhibitor 0.9749
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Targets
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Thymidylate synthase activity
- Specific Function
- Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation.
- Gene Name
- thyA
- Uniprot ID
- P0A884
- Uniprot Name
- Thymidylate synthase
- Molecular Weight
- 30479.475 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
- Kind
- Protein
- Organism
- Bacillus pasteurii
- Pharmacological action
- Unknown
- General Function
- Urease activity
- Specific Function
- Not Available
- Gene Name
- ureC
- Uniprot ID
- P41020
- Uniprot Name
- Urease subunit alpha
- Molecular Weight
- 61397.44 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
- Kind
- Protein
- Organism
- Bacillus pasteurii
- Pharmacological action
- Unknown
- General Function
- Urease activity
- Specific Function
- Not Available
- Gene Name
- ureB
- Uniprot ID
- P41021
- Uniprot Name
- Urease subunit beta
- Molecular Weight
- 13958.485 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
- Kind
- Protein
- Organism
- Bacillus pasteurii
- Pharmacological action
- Unknown
- General Function
- Urease activity
- Specific Function
- Not Available
- Gene Name
- ureA
- Uniprot ID
- P41022
- Uniprot Name
- Urease subunit gamma
- Molecular Weight
- 11145.885 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
- Kind
- Protein
- Organism
- Rhodopseudomonas acidophila
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers.
- Gene Name
- Not Available
- Uniprot ID
- P26789
- Uniprot Name
- Light-harvesting protein B-800/850 alpha chain
- Molecular Weight
- 5653.73 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
- Kind
- Protein
- Organism
- Rhodopseudomonas acidophila
- Pharmacological action
- Unknown
- General Function
- Metal ion binding
- Specific Function
- Antenna complexes are light-harvesting systems, which transfer the excitation energy to the reaction centers.
- Gene Name
- Not Available
- Uniprot ID
- P26790
- Uniprot Name
- Light-harvesting protein B-800/850 beta chain
- Molecular Weight
- 4554.18 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
- Kind
- Protein
- Organism
- Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579)
- Pharmacological action
- Unknown
- General Function
- Rna binding
- Specific Function
- Specifically methylates the cytosines at positions 1400 (m5C1400), 1404 (m5C1404) and 1407 (m5C1407) of 16S rRNA. C1400, C1404 and C1407 are methylated in a 30S subunit substrate, but only C1400 an...
- Gene Name
- rsmF
- Uniprot ID
- Q5SII2
- Uniprot Name
- Ribosomal RNA small subunit methyltransferase F
- Molecular Weight
- 49739.095 Da
References
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Drug created on June 13, 2005 07:24 / Updated on June 12, 2020 10:52