FERRIC PYROPHOSPHATE
General Information
| Mainterm | FERRIC PYROPHOSPHATE |
| Doc Type | ASP |
| CAS Reg.No.(or other ID) | 10058-44-3 |
| Regnum |
582.80 184.1304 |
From www.fda.gov
Computed Descriptors
Download SDF| 2D Structure | |
| CID | 24877 |
| IUPAC Name | iron(3+);phosphonato phosphate |
| InChI | InChI=1S/4Fe.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12 |
| InChI Key | CADNYOZXMIKYPR-UHFFFAOYSA-B |
| Canonical SMILES | [O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3] |
| Molecular Formula | Fe4O21P6 |
| Wikipedia | Iron(III) pyrophosphate |
From Pubchem
Computed Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 745.202 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 21 |
| Rotatable Bond Count | 0 |
| Complexity | 124.0 |
| CACTVS Substructure Key Fingerprint | A A A D c Q A A P g O A A A A g A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A C A A A A A A A A A A A A A A A B A A Q A A A A I A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A = = |
| Topological Polar Surface Area | 407.0 |
| Monoisotopic Mass | 745.476 |
| Exact Mass | 745.476 |
| Compound Is Canonicalized | True |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 7 |
From Pubchem
Taxonomic Classification
| Kingdom | Inorganic compounds |
|---|---|
| Superclass | Mixed metal/non-metal compounds |
| Class | Transition metal oxoanionic compounds |
| Subclass | Transition metal pyrophosphates |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Transition metal pyrophosphates |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Transition metal pyrophosphate - Inorganic oxide - Inorganic salt |
| Description | This compound belongs to the class of inorganic compounds known as transition metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, and in which the heaviest atom not in an oxoanion is a transition metal. |
From ClassyFire
Targets
- General Function:
- Iron ion binding
- Specific Function:
- Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Also plays a role in delivery of iron to cells. Mediates iron uptake in capsule cells of the developing kidney (By similarity).
- Gene Name:
- FTL
- Uniprot ID:
- P02792
- Molecular Weight:
- 20019.49 Da
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.
- Gene Name:
- HBA1
- Uniprot ID:
- P69905
- Molecular Weight:
- 15257.405 Da
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.LVV-hemorphin-7 potentiates the activity of bradykinin, causing a decrease in blood pressure.Spinorphin: functions as an endogenous inhibitor of enkephalin-degrading enzymes such as DPP3, and as a selective antagonist of the P2RX3 receptor which is involved in pain signaling, these properties implicate it as a regulator of pain and inflammation.
- Gene Name:
- HBB
- Uniprot ID:
- P68871
- Molecular Weight:
- 15998.34 Da
From T3DB