(1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate (PAMDB110441)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110441
Identification
Name: (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate
Description:Dianion of (1S,2R)-1-C-(indol-3-yl)glycerol 3-phosphate arising from deprotonation of both phosphate OH groups.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • C1-(3-Indolyl)-glycerol 3-phosphate
  • indole-3-glycerol-P
  • 1-(indol-3-yl)glycerol-3-P
  • 1-(indol-3-yl)glycerol-3-phosphate
  • indoleglycerol phosphate
  • indole-3-glycerol-phosphate
Chemical Formula: C11H12NO6P
Average Molecular Weight: 285.19
Monoisotopic Molecular Weight: 287.0558736972
InChI Key: NQEQTYPJSIEPHW-MNOVXSKESA-L
InChI: InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/p-2/t10-,11+/m1/s1
CAS number: Not Available
IUPAC Name:(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl phosphate
Traditional IUPAC Name: Not Available
SMILES:C2(=C(C1(C=CC=CC=1N2))C(C(COP([O-])(=O)[O-])O)O)
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
Kingdom Organic compounds
Super ClassOrganoheterocyclic compounds
Class Indoles and derivatives
Sub ClassIndoles
Direct Parent 3-alkylindoles
Alternative Parents
Substituents
  • 3-alkylindole
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Substituted pyrrole
  • Alkyl phosphate
  • Benzenoid
  • Pyrrole
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Aromatic alcohol
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Alcohol
  • Organic anion
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • organophosphate oxoanion (CHEBI:60820)
  • an indole-containing compound (INDOLE-3-GLYCEROL-P)
Physical Properties
State: Not Available
Charge:-2
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight285.192 g/molPubChem
XLogP3-AA-1.4 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count6 PubChem
Rotatable Bond Count4 PubChem
Exact Mass285.04 g/molPubChem
Monoisotopic Mass285.04 g/molPubChem
Topological Polar Surface Area129 A^2PubChem
Heavy Atom Count19 PubChem
Formal Charge-2 PubChem
Complexity337 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count2 PubChem
Undefined Atom Stereocenter Count0 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
Pathways:
Spectra
Spectra: Not Available
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
ChEBI58866
IAF126041982
KEGGC03506
PubChem46878464