DEXTRANS (AVG M W LESS THAN 100,000) (CHEM005311)

Record Information
Version1.0
Creation Date2016-05-19 02:00:26 UTC
Update Date2026-05-14 19:04:15 UTC
Accession NumberCHEM005311
Identification
Common NameDEXTRANS (AVG M W LESS THAN 100,000)
ClassSmall Molecule
Description
An alpha-amino acid that is alanine bearing an indol-3-yl substituent at position 3.
Contaminant Sources
  • EAFUS Chemicals
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
2-Amino-3-(1H-indol-3-yl)propanoic acidChEBI
alpha-Amino-beta-(3-indolyl)-propionic acidChEBI
alpha-Amino-beta-3-indolepropionic acidChEBI
beta-3-IndolylalanineChEBI
HTRPChEBI
TriptofanoChEBI
TrpChEBI
TryptophaneChEBI
WChEBI
2-Amino-3-(1H-indol-3-yl)propanoateGenerator
a-Amino-b-(3-indolyl)-propionateGenerator
a-Amino-b-(3-indolyl)-propionic acidGenerator
alpha-Amino-beta-(3-indolyl)-propionateGenerator
Α-amino-β-(3-indolyl)-propionateGenerator
Α-amino-β-(3-indolyl)-propionic acidGenerator
a-Amino-b-3-indolepropionateGenerator
a-Amino-b-3-indolepropionic acidGenerator
alpha-Amino-beta-3-indolepropionateGenerator
Α-amino-β-3-indolepropionateGenerator
Α-amino-β-3-indolepropionic acidGenerator
b-3-IndolylalanineGenerator
Β-3-indolylalanineGenerator
(+-)-TryptophanHMDB
(+/-)-2-amino-3-(3-indolyl)propionic acidHMDB
(+/-)-alpha-amino-3-indolepropionic acidHMDB
DL-2-amino-3-Indolepropionic acidHMDB
DL-3beta-IndolylalanineHMDB
DL-alpha-amino-3-Indolepropionic acidHMDB
DL-TryptophanHMDB
Racemic tryptophanHMDB
Chemical FormulaC11H12N2O2
Average Molecular Mass204.225 g/mol
Monoisotopic Mass204.090 g/mol
CAS Registry Number9004-54-0
IUPAC Name2-amino-3-(1H-indol-3-yl)propanoic acid
Traditional Nametryptophan(.)
SMILESNC(CC1=CNC2=CC=CC=C12)C(O)=O
InChI IdentifierInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
InChI KeyQIVBCDIJIAJPQS-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. Indolyl carboxylic acids and derivatives are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassIndoles and derivatives
Sub ClassIndolyl carboxylic acids and derivatives
Direct ParentIndolyl carboxylic acids and derivatives
Alternative Parents
Substituents
  • Indolyl carboxylic acid derivative
  • Alpha-amino acid
  • Alpha-amino acid or derivatives
  • 3-alkylindole
  • Indole
  • Aralkylamine
  • Benzenoid
  • Substituted pyrrole
  • Heteroaromatic compound
  • Pyrrole
  • Amino acid or derivatives
  • Amino acid
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Azacycle
  • Amine
  • Primary aliphatic amine
  • Hydrocarbon derivative
  • Organic oxide
  • Organic oxygen compound
  • Organic nitrogen compound
  • Carbonyl group
  • Organonitrogen compound
  • Organooxygen compound
  • Primary amine
  • Organopnictogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility1.36 g/LALOGPS
logP-1.1ALOGPS
logP-1.1ChemAxon
logS-2.2ALOGPS
pKa (Strongest Acidic)2.54ChemAxon
pKa (Strongest Basic)9.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area79.11 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity56.2 m³·mol⁻¹ChemAxon
Polarizability21.19 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)Not Available
Uses/SourcesNot Available
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0030396
FooDB IDFDB002251
Phenol Explorer IDNot Available
KNApSAcK IDC00001396
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTryptophan
Chemspider ID1116
ChEBI ID27897
PubChem Compound ID1148
Kegg Compound IDC00806
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=17439666
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=22264337
3. BARENBOIM GM: [Brief-duration fluorescence of DLtryptophan in frozen solutions]. Biofizika. 1962;7:227-32.
4. Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.