General Information of DIG (ID: E0SM9B)
DIG Name
Phosphoric acid
Synonyms    Click to Show/Hide the Synonyms of This DIG
Phosphoric acid; 7664-38-2; ORTHOPHOSPHORIC ACID; o-Phosphoric acid; Sonac; Phosphorsaeure; Acidum phosphoricum; Evits; POLYPHOSPHORIC ACID; Wc-reiniger; Acide phosphorique; Polyphosphoric acids; White phosphoric acid; Acido fosforico; Phosphorsaeureloesungen; Acido fosforico [Italian]; Superphosphoric acid; Fosforzuuroplossingen; ortho-phosphoric acid; Fosforzuuroplossingen [Dutch]; Phosphoric acid 75%; FEMA No. 2900; Phosphorsaeureloesungen [German]; Acide phosphorique [French]; UNII-E4GA8884NN; dihydroxidodioxidophosphorus(.); poly(phosphoric acid); Phosphoric acid 85%; Phosphoric acid [NF]; trihydroxidooxidophosphorus; MFCD00011340; H3PO4; E4GA8884NN; CHEBI:26078; NSC-80804; Phosphoric acid (NF); NCGC00091005-01; Phosphoric acid solution; DSSTox_CID_4263; DSSTox_RID_77346; DSSTox_GSID_24263; acide phosphorique (FRENCH); 9044-08-0; Phosphoric acid, 98+%, pure; Caswell No. 662; Phosphoric acid, ortho-; Phosphoricum acidum; CAS-7664-38-2; CCRIS 2949; HSDB 1187; Phosphoric acid, ACS reagent, >=85 wt. % in H2O; Phosphoric acid, extra pure, 85% solution in water; EINECS 231-633-2; NSC 80804; UN1805; EPA Pesticide Chemical Code 076001; Phosphoric acid, for analysis, 85 wt% solution in water; Phospholeum; Marphos; phosphoric cid; Ortho-phosphate; phosphor-ic acid; Phosphate hydrogen; Polyphosphorc acds; NFB Orthophosphate; 2HP; Phosphate dihydrogen; Phosphoric acid ion; Orthophosphate(3-); ortho phosphoric acid; Phosphate ion(3-); Monohydrogen phosphate; diphosphate tetrasodium; tetraoxophosphoric acid; Phosphate anion(3-); ortho- phosphoric acid; Phosphate (PO43-); ACMC-20heq4; Hydrogen phosphate anion; Phosphoric acid, 75%; Phosphoric acid, 85%; Condensed phosphoric acid; tetra-Sodium pyrophosphate; Orthophosphate (PO43-); Phosphoric acid ion(3-); Phosphate ion (PO43-); EC 231-633-2; CHEMBL1187; Phosphoric acid, 10% v/v; 68891-72-5; Isooctanol, reaction products with phosphorus oxide (P2O5) and polyethylene glycol monotridecyl ether; PHOSPHORIC ACID-17O4; D-Mannan, dihydrogen phosphate; INS NO.338; DTXSID5024263; Phosphoric acid, AR, >=88%; Phosphoric acid, technical grade; [PO(OH)3]; BDBM14671; CHEBI:52641; H3 P O4; INS-338; trihydrogen tetraoxophosphate(3-); Phosphoric acid solution, 1.0 M; Phosphoric acid, AR, 88-93%; Phosphoric acid, LR, 88-93%; phosphoric acid (ACD/Name 4.0); Phosphoric Acid (Fragrance Grade); Phosphoric Acid 85% Reagent ACS; NSC80804; Phosphoric acid, 85%, ACS grade; Phosphoric acid, puriss., >=99%; Tetrasodium pyrophosphate 10-hydrate; Tox21_111053; Tox21_202285; Tox21_303246; ANW-44010; Phosphoric acid, ACS reagent, 85%; Phosphoric acid, for HPLC, >=85%; AKOS028109726; DB09394; MCULE-5726619687; Y-11A06; NCGC00091005-02; NCGC00257071-01; NCGC00259834-01; E338; Phosphoric acid [UN1805] [Corrosive]; Phosphoric acid, BioUltra, >=85% (T); Sodium pyrophosphate decahydrate BioChemica; E 338; E-338; P1745; Phosphoric acid, SAJ first grade, >=85.0%; C00009; D05467; Orthophosphoric acid, 85% w/w aqueous solution; Phosphoric acid, JIS special grade, >=85.0%; Q184782; J-523994; Phosphoric acid, ACS reagent, 85+% solution in water; Q27110336; Phosphoric acid solution, 85 wt. % in H2O, FCC, FG; Phosphoric acid, p.a., ACS reagent, reag. ISO, 85%; 730A9101-D5DE-4668-97CA-7B6178B84417; Phosphoric acid, crystalline, >=99.999% trace metals basis; Phosphoric acid, puriss. p.a., crystallized, >=99.0% (T); Phosphoric acid, 85 wt. % in H2O, 99.99% trace metals basis; Phosphoric acid, BioReagent, suitable for insect cell culture, 85%; Phosphoric acid, United States Pharmacopeia (USP) Reference Standard; Phosphoric acid, >=85 wt. % in H2O, >=99.999% trace metals basis; Phosphoric acid, semiconductor grade VLSI PURANAL(TM) (Honeywell 17644); Phosphoric acid, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=85%; Phosphoric acid, semiconductor grade MOS PURANAL(TM) (Honeywell 17938), >=85%; Phosphoric acid, semiconductor grade PURANAL(TM) (Honeywell 17861), >=85%; 62046-92-8; NFB; Phosphate atomic spectroscopy standard concentrate 1.00 g PO43-, 1.00 g/L, for 1L standard solution, analytical standard; Phosphate atomic spectroscopy standard concentrate 10.00 g PO43-, 10.00 g/L, for 1 l standard solution, analytical standard; Phosphoric acid solution, NMR reference standard, 85% in D2O (99.9 atom % D), NMR tube size 3 mm x 8 in.; Phosphoric acid solution, NMR reference standard, 85% in D2O (99.9 atom % D), NMR tube size 4.2 mm x 8 in. , WGS-5BL Coaxial NMR tube; Phosphoric acid solution, NMR reference standard, 85% in D2O (99.9 atom % D), NMR tube size 5 mm x 8 in.; Phosphoric acid, puriss. p.a., ACS reagent, packed in coated, shock- and leak-protected glass bottle, >=85% (T); Phosphoric acid, puriss., meets analytical specification of Ph. Eur., BP, NF, FCC, 85.0-88.0%
DIG Function
Acidulant; Buffering agent
PubChem CID
1004
Formula
H3O4P
Canonical SMILES
OP(=O)(O)O
InChI
1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)
InChIKey
NBIIXXVUZAFLBC-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=1004"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 97.995 Topological Polar Surface Area 77.8
XlogP -2.1 Complexity 49.8
Heavy Atom Count 5 Rotatable Bond Count 0
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Full List of Active Pharmaceutical Ingredients (APIs) Co-administrated with This DIG
       ICD Disease Classification 06 Mental/behavioural/neurodevelopmental disorder Click to Show/Hide
Methylphenidate
API Info
Attention deficit hyperactivity disorder [ICD-11: 6A05]
[1]
       ICD Disease Classification 13 Digestive system disease Click to Show/Hide
Metoclopramide
API Info
Gastro-oesophageal reflux disease [ICD-11: DA22]
[2]
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Lyase/isomerase/ligase (L/I/G)
            DBT Name: Carbonic anhydrase IV (CA4) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity Ki = 9800 nM (estimated based on the structural similarity with CHEMBL1060 ) [3]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID CAH4_HUMAN
References
1 FDA label for approved methylphenidate from the official website of the U.S. Food and Drug Administration.
2 FDA label for approved metoclopramide from the official website of the U.S. Food and Drug Administration.
3 Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with phosphates, carbamoyl phosphate, and the phosphonate antiviral drug foscarnet. Bioorg Med Chem Lett. 2004 Dec 6; 14(23):5763-7.

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