6-hydroxynorleucine
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Identification
- Generic Name
- 6-hydroxynorleucine
- DrugBank Accession Number
- DB03412
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 147.1723
Monoisotopic: 147.089543287 - Chemical Formula
- C6H13NO3
- Synonyms
- 2-Amino-6-hydroxycaproic acid
- 6-hydroxy-L-norleucine
- alpha-Amino-epsilon-hydroxycaproic acid
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UL-asparaginase Not Available Erwinia chrysanthemi - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
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
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-alpha-amino acids
- Alternative Parents
- Medium-chain hydroxy acids and derivatives / Medium-chain fatty acids / Hydroxy fatty acids / Amino fatty acids / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Primary alcohols / Organopnictogen compounds / Organic oxides show 3 more
- Substituents
- Alcohol / Aliphatic acyclic compound / Amine / Amino acid / Amino fatty acid / Carbonyl group / Carboxylic acid / Fatty acid / Fatty acyl / Hydrocarbon derivative show 14 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 874D12O72W
- CAS number
- 6033-32-5
- InChI Key
- OLUWXTFAPJJWPL-YFKPBYRVSA-N
- InChI
- InChI=1S/C6H13NO3/c7-5(6(9)10)3-1-2-4-8/h5,8H,1-4,7H2,(H,9,10)/t5-/m0/s1
- IUPAC Name
- (2S)-2-amino-6-hydroxyhexanoic acid
- SMILES
- N[C@@H](CCCCO)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 97725
- PubChem Substance
- 46508093
- ChemSpider
- 88202
- ChEMBL
- CHEMBL1233976
- ZINC
- ZINC000001747033
- PDBe Ligand
- LDO
- PDB Entries
- 1jsr / 6ir7 / 8aqa
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 101.0 mg/mL ALOGPS logP -2.9 ALOGPS logP -2.9 Chemaxon logS -0.16 ALOGPS pKa (Strongest Acidic) 2.46 Chemaxon pKa (Strongest Basic) 9.53 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 83.55 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 36.15 m3·mol-1 Chemaxon Polarizability 15.55 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00e9-9200000000-b56934be1540ae2e0975 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0f89-7900000000-9dc145ae7d98bb391b80 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0900000000-4f160fb7ac585506b29b Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01u1-3900000000-b01659e973f093884018 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-daebab5b7efad0b14ff0 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000x-9000000000-82ca7aa1e02cd9f7c28f Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-db23880a8c0e46fb682a Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 128.59166 predictedDeepCCS 1.0 (2019) [M+H]+ 132.41899 predictedDeepCCS 1.0 (2019) [M+Na]+ 141.23372 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsL-asparaginase
- Kind
- Protein
- Organism
- Erwinia chrysanthemi
- Pharmacological action
- Unknown
- General Function
- Asparaginase activity
- Specific Function
- Not Available
- Gene Name
- ansB
- Uniprot ID
- P06608
- Uniprot Name
- L-asparaginase
- Molecular Weight
- 37574.855 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52