Livestock Metabolome Database: Showing metabocard for Phosphoric acid (LMDB00380)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:48:33 UTC

Update Date

2016-07-20 21:00:22 UTC

Lmdb

LMDB00380

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Phosphoric acid

Description

Phosphate, also known as phosphoric acid or [po(OH)3], belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion. Phosphate exists in all living species, ranging from bacteria to plants to humans. In humans, phosphate is involved in the thioguanine action pathway. Phosphate is a bland tasting compound. Phosphate has been detected, but not quantified in, several different foods, such as chinese plum, bitter gourds (Momordica charantia), sweet marjorams (Origanum majorana), bilberries (Vaccinium myrtillus), and macadamia nut (m. tetraphylla). This could make phosphate a potential biomarker for the consumption of these foods. Phosphate is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on Phosphate.

Structure

MOL SDF 3D-SDF PDB SMILES InChI View 3D Structure

Synonyms

Value	Source
[PO(OH)3]	ChEBI
Acide phosphorique	ChEBI
Acidum phosphoricum	ChEBI
H3PO4	ChEBI
Orthophosphoric acid	ChEBI
Phosphorsaeureloesungen	ChEBI
Phosphorsaeure	ChEBI
Phosphoric acid	Kegg
Orthophosphate	Generator
Concise etchant	MeSH
Condact	MeSH
K-Etchant	MeSH
Uni-etch	MeSH
Phosphate	ChEBI
Diphosphate tetrasodium	HMDB
Marphos	HMDB
NFB	HMDB
ortho- Phosphoric acid	HMDB
Phosphoric acid (acd/name 4.0)	HMDB
Sodium pyrophosphate	HMDB
Sodium pyrophosphate decahydrate	HMDB
Sodium pyrophosphate decahydrate biochemica	HMDB
Sonac	HMDB
Tetra-sodium pyrophosphate	HMDB
Tetrasodium pyrophosphate 10-hydrate	HMDB
Tetrasodium pyrophosphate decahydrate	HMDB
White phosphoric acid	HMDB
Hydrogen phosphoric acid	Generator
Dihydrogen phosphate	HMDB
Hydrogen phosphate	HMDB

Chemical Formula

H₃O₄P

Average Molecular Weight

97.9952

Monoisotopic Molecular Weight

97.976895096

IUPAC Name

phosphoric acid

Traditional Name

phosphoric acid

CAS Registry Number

7664-38-2

SMILES

OP(O)(O)=O

InChI Identifier

InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)

InChI Key

NBIIXXVUZAFLBC-UHFFFAOYSA-N

Chemical Taxonomy

Description

belongs to the class of inorganic compounds known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Non-metal oxoanionic compounds

Sub Class

Non-metal phosphates

Direct Parent

Non-metal phosphates

Alternative Parents

Inorganic oxides

Substituents

Non-metal phosphate
Inorganic oxide

Molecular Framework

Not Available

External Descriptors

phosphoric acids (CHEBI:26078 )

Ontology

Status

Detected but not Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

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
logP	-1	ChemAxon
pKa (Strongest Acidic)	1.8	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	77.76 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	14.65 m³·mol⁻¹	ChemAxon
Polarizability	5.81 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
GC-MS	GC-MS Spectrum - GC-MS (3 TMS)	splash10-0002-0794000000-6c866e626b9356994d46	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0002-0394000000-3a469377821d88bd699f	Spectrum
GC-MS	GC-MS Spectrum - GC-MS (Non-derivatized)	splash10-0002-0794000000-6c866e626b9356994d46	Spectrum
GC-MS	GC-MS Spectrum - GC-EI-TOF (Non-derivatized)	splash10-000t-0972000000-2ddd7182426dbace5342	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0002-9000000000-1805c2208b5ff15a75b1	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 10V, N/A (Annotated)	splash10-000t-9000000000-0e85f764ac98e8949759	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 25V, N/A (Annotated)	splash10-001i-9000000000-869a362083996a0cec77	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - Quattro_QQQ 40V, N/A (Annotated)	splash10-03di-9000000000-801101cccfd6c25271d4	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 10V, positive	splash10-0002-9000000000-6f386712e664a4b37a0f	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 20V, positive	splash10-0002-9000000000-94c04c712e24776fb333	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 40V, positive	splash10-0002-9000000000-9cc1283f5af78eb26124	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QFT , negative	splash10-0002-9000000000-c1da993c0996e8d60830	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 35V, negative	splash10-002b-9000000000-ccb36e7b3439fcc25313	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 10V, negative	splash10-004i-9000000000-e618cbd5a94aa5860a29	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 20V, negative	splash10-004i-9000000000-b7f0efd9272b1a27eac4	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - LC-ESI-QTOF 40V, negative	splash10-004i-9000000000-8cadeed88c84e8c2b6c2	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 6V, negative	splash10-014i-9000000000-093cd2a2a662118d8432	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - n/a 6V, negative	splash10-004i-9000000000-46d4cee1b5ac630ba9b8	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 1V, negative	splash10-0006-0090000000-40333890e636692e7970	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 2V, negative	splash10-0006-0190000000-52fa21c93ab4c97f8df2	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 3V, negative	splash10-0006-0490000000-32e316211facaa3d3bb2	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 4V, negative	splash10-0005-0960000000-bd7aaa47a8ffd82012d3	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 5V, negative	splash10-0002-0920000000-463d7b1bf72bcc10126f	Spectrum
LC-MS/MS	LC-MS/MS Spectrum - QqQ 6V, negative	splash10-0002-0910000000-3c9c666ac95b68e43224	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0002-9000000000-12a5e23d24cd494e99c1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0002-9000000000-91e06ca38117aabdb14c	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-000t-9000000000-19b1c041aa5e2adcc3e6	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0002-9000000000-e56eecd6724dfbf74160	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-004i-9000000000-0a46ba32971030356ac5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-004i-9000000000-3a53d27e23b39429d092	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Feces
Milk
Plasma
Serum

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Feces	Detected but not Quantified	Not Applicable	Not Available	Ovine	17249687	details
Milk	Detected but not Quantified	Not Applicable	Not Available	Bovine	25108860	details
Plasma	Detected but not Quantified	Not Applicable	Not Available	Ovine	17249687	details
Serum	Detected but not Quantified	Not Applicable	Not Available	Porcine	23255817	details
Serum	Detected but not Quantified	Not Applicable	Not Available	Porcine	22761248	details