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Human Metabolome Database Version 3.5

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Showing metabocard for IDP (HMDB03335)

Record Information
Version 3.5
Creation Date 2006-08-12 12:44:06 -0600
Update Date 2013-02-08 17:12:27 -0700
HMDB ID HMDB03335
Secondary Accession Numbers None
Metabolite Identification
Common Name IDP
Description IDP is an inosine nucleotide containing a pyrophosphate group esterified to C5 of the sugar moiety.
Structure Thumb
Download: MOL | SDF | SMILES | InChI
Display: 2D Structure | 3D Structure
Synonyms
  1. 5'-IDP
  2. IDP
  3. Inosine 5'-(trihydrogen diphosphate)
  4. Inosine 5'-(trihydrogen pyrophosphate)
  5. Inosine 5'-diphosphate
  6. Inosine 5'-pyrophosphate
  7. Inosine diphosphate
  8. Inosine pyrophosphate
  9. Riboxin
  10. Riboxine
Chemical Formula C10H14N4O11P2
Average Molecular Weight 428.1859
Monoisotopic Molecular Weight 428.013430334
IUPAC Name [({[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Traditional IUPAC Name {[(2R,3S,4R)-3,4-dihydroxy-5-(6-oxo-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxyphosphonic acid
CAS Registry Number 86-04-4
SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(O)=O)OC([C@@H]1O)N1C=NC2=C1NC=NC2=O
InChI Identifier InChI=1S/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10?/m1/s1
InChI Key JPXZQMKKFWMMGK-VTHZCTBJSA-N
Chemical Taxonomy
Kingdom Organic Compounds
Super Class Nucleosides, Nucleotides, and Analogues
Class Purine Nucleotides
Sub Class Purine Ribonucleotides
Other Descriptors
  • Aromatic Heteropolycyclic Compounds
Substituents
  • 1,2 Diol
  • 1 Phosphoribosyl Imidazole
  • Glycosyl Compound
  • Hypoxanthine
  • Imidazole
  • Imidazopyrimidine
  • Monosaccharide Phosphate
  • N Glycosyl Compound
  • Organic Hypophosphite
  • Organic Phosphite
  • Organic Pyrophosphate
  • Oxolane
  • Pentose Monosaccharide
  • Phosphoric Acid Ester
  • Purine
  • Purinone
  • Pyrimidine
  • Pyrimidone
  • Saccharide
  • Secondary Alcohol
Direct Parent Purine Ribonucleoside Monophosphates
Ontology
Status Expected and Not Quantified
Origin
  • Endogenous
Biofunction Not Available
Application Not Available
Cellular locations
  • Extracellular
  • Mitochondria
  • Nucleus
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 4.26 g/L ALOGPS
LogP -0.99 ALOGPS
LogP -3.6 ChemAxon
LogS -2.00 ALOGPS
pKa (strongest acidic) 2.65 ChemAxon
pKa (strongest basic) 1.73 ChemAxon
Hydrogen Acceptor Count 12 ChemAxon
Hydrogen Donor Count 6 ChemAxon
Polar Surface Area 222.26 A2 ChemAxon
Rotatable Bond Count 6 ChemAxon
Refractivity 82.64 ChemAxon
Polarizability 33.75 ChemAxon
Formal Charge 0 ChemAxon
Physiological Charge -3 ChemAxon
Spectra
Not Available
Biological Properties
Cellular Locations
  • Extracellular
  • Mitochondria
  • Nucleus
Biofluid Locations Not Available
Tissue Location Not Available
Pathways
Name SMPDB Link KEGG Link
Purine Metabolism SMP00050 map00230 Link_out
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease References None
Associated OMIM IDs None
DrugBank ID Not Available
Phenol Explorer Compound ID Not Available
Phenol Explorer Metabolite ID Not Available
FoodDB ID FDB023146
KNApSAcK ID Not Available
Chemspider ID 559208 Link_out
KEGG Compound ID C00104 Link_out
BioCyc ID IDP Link_out
BiGG ID 33869 Link_out
Wikipedia Link IDP Link_out
NuGOwiki Link HMDB03335 Link_out
Metagene Link HMDB03335 Link_out
METLIN ID 6892 Link_out
PubChem Compound 644173 Link_out
PDB ID Not Available
ChEBI ID 17808 Link_out
References
Synthesis Reference Takada, Masao; Kashiwa, Kenichi. Nucleoside 5'-pyrophosphates. Jpn. Tokkyo Koho (1971), 3 pp. CODEN: JAXXAD JP 46021587 19710618 Showa. CAN 75:130076 AN 1971:530076 CAPLUS
Material Safety Data Sheet (MSDS) Not Available
General References
  1. Hlushko LV, Makovets'ka TI, Neiko IeM: [The dynamics of the glycocholic acid content of the bile in patients with chronic inactive hepatitis] Lik Sprava. 1995 May-Jun;(5-6):152-4. Pubmed: 8630789 Link_out
Enzymes
Name: Ectonucleoside triphosphate diphosphohydrolase 1
Reactions:
  • ATP + 2 H2O = AMP + 2 phosphate [RN:R00085]
Gene Name: ENTPD1
Uniprot ID: P49961 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Soluble calcium-activated nucleotidase 1
Reactions:
  • a nucleoside diphosphate + H2O = a nucleotide + phosphate [RN:R00329]
Gene Name: CANT1
Uniprot ID: Q8WVQ1 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Ectonucleoside triphosphate diphosphohydrolase 3
Reactions:
  • ATP + 2 H2O = AMP + 2 phosphate [RN:R00085]
Gene Name: ENTPD3
Uniprot ID: O75355 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Uridine-cytidine kinase 1
Reactions:
  • ATP + uridine = ADP + UMP [RN:R00964]
Gene Name: UCK1
Uniprot ID: Q9HA47 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Nucleoside diphosphate kinase, mitochondrial
Reactions:
  • ATP + nucleoside diphosphate = ADP + nucleoside triphosphate [RN:R00331]
Gene Name: NME4
Uniprot ID: O00746 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Nucleoside diphosphate kinase A
Reactions:
  • ATP + nucleoside diphosphate = ADP + nucleoside triphosphate [RN:R00331]
Gene Name: NME1
Uniprot ID: P15531 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Nucleoside diphosphate kinase B
Reactions:
  • ATP + nucleoside diphosphate = ADP + nucleoside triphosphate [RN:R00331]
Gene Name: NME2
Uniprot ID: P22392 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Nucleoside diphosphate kinase 6
Reactions:
  • ATP + nucleoside diphosphate = ADP + nucleoside triphosphate [RN:R00331]
Gene Name: NME6
Uniprot ID: O75414 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Glucokinase
Reactions:
  • ATP + D-glucose = ADP + D-glucose 6-phosphate [RN:R00299]
Gene Name: GCK
Uniprot ID: P35557 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Hexokinase-3
Reactions:
  • ATP + D-hexose = ADP + D-hexose 6-phosphate [RN:R02848]
Gene Name: HK3
Uniprot ID: P52790 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Hexokinase-2
Reactions:
  • ATP + D-hexose = ADP + D-hexose 6-phosphate [RN:R02848]
Gene Name: HK2
Uniprot ID: P52789 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: 6-phosphofructokinase type C
Reactions:
  • ATP + D-fructose 6-phosphate = ADP + D-fructose 1,6-bisphosphate [RN:R00756]
Gene Name: PFKP
Uniprot ID: Q01813 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: 6-phosphofructokinase, liver type
Reactions:
  • ATP + D-fructose 6-phosphate = ADP + D-fructose 1,6-bisphosphate [RN:R00756]
Gene Name: PFKL
Uniprot ID: P17858 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: 6-phosphofructokinase, muscle type
Reactions:
  • ATP + D-fructose 6-phosphate = ADP + D-fructose 1,6-bisphosphate [RN:R00756]
Gene Name: PFKM
Uniprot ID: P08237 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Pyruvate kinase isozymes M1/M2
Reactions:
  • ATP + pyruvate = ADP + phosphoenolpyruvate [RN:R00200]
Gene Name: PKM2
Uniprot ID: P14618 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Pyruvate kinase isozymes R/L
Reactions:
  • ATP + pyruvate = ADP + phosphoenolpyruvate [RN:R00200]
Gene Name: PKLR
Uniprot ID: P30613 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Ectonucleoside triphosphate diphosphohydrolase 6
Reactions:
  • a nucleoside diphosphate + H2O = a nucleotide + phosphate [RN:R00329]
Gene Name: ENTPD6
Uniprot ID: O75354 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Ectonucleoside triphosphate diphosphohydrolase 5
Reactions:
  • a nucleoside diphosphate + H2O = a nucleotide + phosphate [RN:R00329]
Gene Name: ENTPD5
Uniprot ID: O75356 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Succinyl-CoA ligase [GDP-forming] subunit alpha, mitochondrial
Reactions:
  • GTP + succinate + CoA = GDP + phosphate + succinyl-CoA [RN:R00432]
Gene Name: SUCLG1
Uniprot ID: P53597 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Succinyl-CoA ligase [GDP-forming] subunit beta, mitochondrial
Reactions:
  • GTP + succinate + CoA = GDP + phosphate + succinyl-CoA [RN:R00432]
Gene Name: SUCLG2
Uniprot ID: Q96I99 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Phosphoenolpyruvate carboxykinase, cytosolic [GTP]
Reactions:
  • GTP + oxaloacetate = GDP + phosphoenolpyruvate + CO2 [RN:R00431]
Gene Name: PCK1
Uniprot ID: P35558 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Succinyl-CoA ligase [ADP-forming] subunit beta, mitochondrial
Reactions:
  • ATP + succinate + CoA = ADP + phosphate + succinyl-CoA [RN:R00405]
Gene Name: SUCLA2
Uniprot ID: Q9P2R7 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: Uridine-cytidine kinase 2
Reactions:
  • ATP + uridine = ADP + UMP [RN:R00964]
Gene Name: UCK2
Uniprot ID: Q9BZX2 Link_out
Protein Sequence: FASTA
Gene Sequence: FASTA
Name: ENTPD4 protein
Reactions:
    Gene Name: ENTPD4
    Uniprot ID: Q8NE73 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Uridine-cytidine kinase-like 1
    Reactions:
    • ATP + uridine = ADP + UMP [RN:R00964]
    Gene Name: UCKL1
    Uniprot ID: Q9NWZ5 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA
    Name: Ectonucleoside triphosphate diphosphohydrolase 8
    Reactions:
    • ATP + 2 H2O = AMP + 2 phosphate [RN:R00085]
    Gene Name: ENTPD8
    Uniprot ID: Q5MY95 Link_out
    Protein Sequence: FASTA
    Gene Sequence: FASTA