3-amino-1-hydroxyacetone 1-phosphate (PAMDB110209)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB110209
Identification
Name: 3-amino-1-hydroxyacetone 1-phosphate
Description:Conjugate base of 3-amino-2-oxopropyl phosphate.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:
  • 1-amino-propan-2-one 3-phosphate
  • 3-amino-2-oxopropyl phosphate
Chemical Formula: C3H7NO5P
Average Molecular Weight: 168.07
Monoisotopic Molecular Weight: 170.0218339146
InChI Key: HIQNVODXENYOFK-UHFFFAOYSA-M
InChI: InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)/p-1
CAS number: Not Available
IUPAC Name:3-azaniumyl-2-oxopropyl phosphate
Traditional IUPAC Name: Not Available
SMILES:C(C(=O)C[N+])OP(=O)([O-])[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as alkyl phosphates. These are organic compounds containing a phosphate group that is linked to one or more alkyl chains.
Kingdom Organic compounds
Super ClassOrganic acids and derivatives
Class Organic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct Parent Alkyl phosphates
Alternative Parents
Substituents
  • Alkyl phosphate
  • Ketone
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Carbonyl group
  • Organic anion
  • Aliphatic acyclic compound
Molecular Framework Aliphatic acyclic compounds
External Descriptors Not Available
Physical Properties
State: Not Available
Charge:-1
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight168.065 g/molPubChem
XLogP3-AA-5.2 PubChem
Hydrogen Bond Donor Count1 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count3 PubChem
Exact Mass168.006 g/molPubChem
Monoisotopic Mass168.006 g/molPubChem
Topological Polar Surface Area117 A^2PubChem
Heavy Atom Count10 PubChem
Formal Charge-1 PubChem
Complexity151 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 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:
4-phospho-hydroxy-L-threonine + NAD+ → 3-amino-1-hydroxyacetone 1-phosphate + Carbon dioxide + NADH
Pathways:
  • pyridoxal 5'-phosphate biosynthesis IPYRIDOXSYN-PWY
  • superpathway of pyridoxal 5'-phosphate biosynthesis and salvagePWY0-845
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    ChEBI57279
    KEGGC11638
    PubChem25244426