Human Metabolome Database Version 3.5

Showing metabocard for D-Tagatose 1,6-bisphosphate (HMDB06872)

Record Information
Version 3.5
Creation Date 2008-08-13 11:37:34 -0600
Update Date 2013-05-14 11:44:18 -0600
HMDB ID HMDB06872
Secondary Accession Numbers None
Metabolite Identification
Common Name D-Tagatose 1,6-bisphosphate
Description D-Tagatose 1,6-bisphosphate is an intermediate in galactose metabolism.
Structure Thumb
Download: MOL | SDF | PDB | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. 1,6-Di-O-phosphono-D-tagatofuranose
  2. D-tagatofuranose 1,6-bisphosphate
Chemical Formula C6H14O12P2
Average Molecular Weight 340.1157
Monoisotopic Molecular Weight 339.996048936
IUPAC Name {[(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxy}phosphonic acid
Traditional IUPAC Name [(2R,3R,4S)-3,4,5-trihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]methoxyphosphonic acid
CAS Registry Number Not Available
SMILES O[C@@H]1[C@H](O)C(O)(COP(O)(O)=O)O[C@@H]1COP(O)(O)=O
InChI Identifier InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4+,5+,6?/m1/s1
InChI Key RNBGYGVWRKECFJ-OEXCPVAWSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Carbohydrates and Carbohydrate Conjugates
Class Monosaccharides
Sub Class Pentoses
Other Descriptors
  • Aliphatic Heteromonocyclic Compounds
  • D-tagatose 1,6-bisphosphate(ChEBI)
  • Monosaccharide Phosphates
Substituents
  • 1,2 Diol
  • Hemiacetal
  • Organic Hypophosphite
  • Organic Phosphite
  • Oxolane
  • Phosphoric Acid Ester
  • Secondary Alcohol
Direct Parent Pentoses
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations Not Available
Physical Properties
State Solid
Experimental Properties
Property Value Reference
Melting Point Not Available Not Available
Boiling Point Not Available Not Available
Water Solubility Not Available Not Available
LogP Not Available Not Available
Predicted Properties
Property Value Source
Water Solubility 16.1 g/L ALOGPS
LogP -1.51 ALOGPS
LogP -3 ChemAxon
LogS -1.33 ALOGPS
pKa (strongest acidic) 0.89 ChemAxon
pKa (strongest basic) -3.7 ChemAxon
Hydrogen Acceptor Count 10 ChemAxon
Hydrogen Donor Count 7 ChemAxon
Polar Surface Area 203.44 A2 ChemAxon
Rotatable Bond Count 6 ChemAxon
Refractivity 58.11 ChemAxon
Polarizability 25.12 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge -4 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations Not Available
Biofluid Locations Not Available
Tissue Location Not Available
Pathways Not Available
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
DrugBank Metabolite ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB024127
KNApSAcK ID Not Available
Chemspider ID 389117 Link_out
KEGG Compound ID C03785 Link_out
BioCyc ID Not Available
BiGG ID Not Available
Wikipedia Link Not Available
NuGOwiki Link HMDB06872 Link_out
Metagene Link HMDB06872 Link_out
METLIN ID Not Available
PubChem Compound 440117 Link_out
PDB ID Not Available
ChEBI ID 4250 Link_out
References
Synthesis Reference Not Available
Material Safety Data Sheet (MSDS) Not Available
General References Not Available

Enzymes
Name: 6-phosphofructokinase type C
Reactions:
D-Tagatose 6-phosphate + Adenosine triphosphate unknown D-Tagatose 1,6-bisphosphate + ADP details
Cytidine triphosphate + D-Tagatose 6-phosphate unknown CDP + D-Tagatose 1,6-bisphosphate details
Uridine triphosphate + D-Tagatose 6-phosphate unknown Uridine 5'-diphosphate + D-Tagatose 1,6-bisphosphate details
Inosine triphosphate + D-Tagatose 6-phosphate unknown IDP + D-Tagatose 1,6-bisphosphate details
Gene Name: PFKP
Uniprot ID: Q01813 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: 6-phosphofructokinase, liver type
Reactions:
D-Tagatose 6-phosphate + Adenosine triphosphate unknown D-Tagatose 1,6-bisphosphate + ADP details
Cytidine triphosphate + D-Tagatose 6-phosphate unknown CDP + D-Tagatose 1,6-bisphosphate details
Uridine triphosphate + D-Tagatose 6-phosphate unknown Uridine 5'-diphosphate + D-Tagatose 1,6-bisphosphate details
Inosine triphosphate + D-Tagatose 6-phosphate unknown IDP + D-Tagatose 1,6-bisphosphate details
Gene Name: PFKL
Uniprot ID: P17858 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: 6-phosphofructokinase, muscle type
Reactions:
D-Tagatose 6-phosphate + Adenosine triphosphate unknown D-Tagatose 1,6-bisphosphate + ADP details
Cytidine triphosphate + D-Tagatose 6-phosphate unknown CDP + D-Tagatose 1,6-bisphosphate details
Uridine triphosphate + D-Tagatose 6-phosphate unknown Uridine 5'-diphosphate + D-Tagatose 1,6-bisphosphate details
Inosine triphosphate + D-Tagatose 6-phosphate unknown IDP + D-Tagatose 1,6-bisphosphate details
Gene Name: PFKM
Uniprot ID: P08237 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA