Np mrd loader

Record Information
Version2.0
Created at2024-09-09 23:18:43 UTC
Updated at2024-09-09 23:18:44 UTC
NP-MRD IDNP0334356
Secondary Accession NumbersNone
Natural Product Identification
Common Namediphosphate
DescriptionPyrophosphate, also known as diphosphoric acid or ppi, is a member of the class of compounds known as non-metal pyrophosphates. Non-metal pyrophosphates are inorganic non-metallic compoundscontaining a pyrophosphate as its largest oxoanion. Pyrophosphate can be found in a number of food items such as bitter gourd, babassu palm, groundcherry, and black crowberry, which makes pyrophosphate a potential biomarker for the consumption of these food products. Pyrophosphate can be found primarily in blood, saliva, and urine, as well as throughout most human tissues. Pyrophosphate exists in all living organisms, ranging from bacteria to humans. In humans, pyrophosphate is involved in several metabolic pathways, some of which include cardiolipin biosynthesis CL(18:0/16:1(9Z)/16:1(9Z)/16:0), Cardiolipin biosynthesis cl(i-13:0/A-17:0/I-18:0/A-17:0), Cardiolipin biosynthesis cl(i-12:0/I-16:0/A-15:0/A-25:0), And cardiolipin biosynthesis cl(a-13:0/I-24:0/I-22:0/I-14:0). Pyrophosphate is also involved in several metabolic disorders, some of which include hyperinsulinism-hyperammonemia syndrome, methionine adenosyltransferase deficiency, mevalonic aciduria, and g(m2)-gangliosidosis: Variant B, tay-sachs disease. Pyrophosphate is a non-carcinogenic (not listed by IARC) potentially toxic compound. In chemistry, a pyrophosphate is a phosphorus oxyanion. Compounds such as salts and esters are also called pyrophosphates. The group is also called diphosphate or dipolyphosphate, although this should not be confused with phosphates. As a food additive, diphosphates are known as E450. A number of hydrogen pyrophosphates also exist, such as Na2H2P2O7, as well as the normal pyrophosphates.
Structure
Thumb
Synonyms
ValueSource
[O3POPO3](4-)ChEBI
DiphosphatChEBI
P2O7(4-)ChEBI
PPiChEBI
PyrophosphatChEBI
PyrophosphateChEBI
Pyrophosphate ionChEBI
Pyrophosphoric acidGenerator
Pyrophosphoric acid ionGenerator
Diphosphoric acidGenerator
DIphosphATEChEBI
(4-)Diphosphoric acid ionHMDB
(P2O74-)DiphosphateHMDB
PyrometaphosphateHMDB
Pyrophosphate tetraanionHMDB
Pyrophosphate(4-) ionHMDB
Chemical FormulaO7P2
Average Mass173.9433 Da
Monoisotopic Mass173.91193 Da
IUPAC Name(phosphonooxy)phosphonate
Traditional Namephosphonooxyphosphonate
CAS Registry NumberNot Available
SMILES
[O-]P([O-])(=O)OP([O-])([O-])=O
InChI Identifier
InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
InChI KeyXPPKVPWEQAFLFU-UHFFFAOYSA-J
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
Description Belongs to the class of inorganic compounds known as non-metal pyrophosphates. These are inorganic non-metallic compounds containing a pyrophosphate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal pyrophosphates
Direct ParentNon-metal pyrophosphates
Alternative Parents
Substituents
  • Non-metal pyrophosphate
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)1.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area135.61 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity21.04 m³·mol⁻¹ChemAxon
Polarizability9.06 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030832
KNApSAcK IDNot Available
Chemspider ID559142
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPyrophosphate
METLIN IDNot Available
PubChem Compound644102
PDB IDNot Available
ChEBI ID18361
Good Scents IDNot Available
References
General ReferencesNot Available