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Compound Summary

General Compound Information

Pantothenic acid

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Description

(R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate.

Synonyms

pantothenic acid; D-pantothenic acid; vitamin B5; 79-83-4; pantothenate;

Chick antidermatitis factor;(R)-pantothenate;(+)-Pantothenic acid;(R)-pantothenic acid;(D)-(+)-Pantothenic acid;Kyselina pantothenova [Czech];PANTOTHENOIC ACID;HSDB 1020;Pantothenic Acid [BAN];D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine;Vitamin B-5;BRN 1727064;Pantothenic acid (d);3-[[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid;beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-;(D,+)-N(alpha-gamma-Dihydroxy-beta,beta-dimethylbutyryl)-beta-alanine;N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine;CHEBI:46905;19F5HK2737;(R)-3-(2,4-Dihydroxy-3,3-dimethylbutanamido)propanoic acid;Pantothenic acid (BAN);(+)-Pantothenate;N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE;Pantothenic acid, D-;(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanine;3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid;d-pantothenate;PAU;Kyselina pantothenova;EINECS 201-229-0;pantothenic-acid;UNII-19F5HK2737;delta-Pantothenate;delta-Pantothenic acid;D-(+)-pantothenic acid;(D)-(+)-Pantothenate;bmse000287;SCHEMBL5436;CHEMBL1594;Pantothen Pharmaselect (TN);VITAMIN B5 [VANDF];4-04-00-02569 (Beilstein Handbook Reference);PANTOTHENIC ACID [MI];Pantothenic acid, D- (8CI);GTPL4668;PANTOTHENIC ACID [HSDB];PANTOTHENIC ACID [INCI];DTXSID9023417;PANTOTHENIC ACID [VANDF];()-pantothenate;()-vitamin B5;PANTOTHENIC ACID [MART.];VITAMIN B5 [GREEN BOOK];PANTOTHENIC ACID [WHO-DD];HMS2090P08;HMS3656K08;HY-B0430;N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-beta-alanine;ZINC5356910;.beta.-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)-;PANTOTHENIC ACID [ORANGE BOOK];DB01783;NCGC00346610-01;AS-75446;SBI-0206933.P001;SW220291-1;C00864;D07413;E83797;EN300-113766;Q63390527;D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanine;450B5472-A689-4BCA-9BC1-58691B72D00F;N-[(2R)-2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl]-ss-alanine;3-((R)-2,4-Dihydroxy-3,3-dimethyl-butyrylamino)-propionic acid;3-[[(2R)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propionic acid;beta-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]-;3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoic acid;b-Alanine, N-[(2R)-2,4-dihydroxy-3,3-dimethyl-1-oxobutyl]- (9CI);beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)- (9CI);N-((2R)-2,4-DIHYDROXY-3,3-DIMETHYL-1-OXOBUTYL)-.BETA.-ALANINE;

FlavorDB ID

4244

PUBCHEM ID

Molecular Weight

219.23 Molecular Formula

C9H17NO5

Openeye Can Smiles

CC(C)(CO)C(C(=O)NCCC(=O)O)O

IUPAC Inchikey

GHOKWGTUZJEAQD-ZETCQYMHSA-N

Network

Similarity

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database
No Tolerable Upper Level Intake (UL) has been established for the vitamin.
Source: DrugBank or Hazardous Substances Data Bank (HSDB)

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: Pantothenic acid

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Reference point information of this compound is not available!

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
3305	AI	=	3	mg/day	Consumers - Infants 7-11 months
3305	AI	=	4	mg/day	Consumers - Children 1-3 years
3305	AI	=	4	mg/day	Consumers - Children 4-10 years
3305	AI	=	5	mg/day	Consumers - Adults >=18 years
3305	AI	=	5	mg/day	Consumers - Children 11-17 years
3305	AI	=	5	mg/day	Consumers - Pregnant women >= 18 years
3305	AI	=	7	mg/day	Consumers - Lactating women >= 18 years

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA NDA	2014	3305	No data
SCF	2002	3394	No data

EFSA Outputs

Output ID	Title	DOI	Published
3305	Scientific Opinion on Dietary Reference Values for pantothenic acid	doi:10.2903/j.efsa.2014.3581	24Feb2014
3394	Opinion of the Scientific Committee on Food on the Tolerable Upper Intake Level of Pantothenic Acid	doi:10.2903/sci-com_scf_out80k_en.pdf	18Apr2002

Receptors

Receptor	REFERENCE	EC50 [µM]	Effective Concentration [µM]
TAS2R14	details	Activated	1000.00
TAS2R31	details	Activated	1000.00
TAS2R40	details	Activated	1000.00
TAS2R43	details	Activated	1000.00

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive
Experimental LCMS	view	LCMS_Negative	negative

Content

Compound Summary

Pantothenic acid

Description

(R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate.

Synonyms

pantothenic acid; D-pantothenic acid; vitamin B5; 79-83-4; pantothenate;

FlavorDB ID

4244

PUBCHEM ID

6613

Molecular Weight

219.23

Molecular Formula

C9H17NO5

Openeye Can Smiles

CC(C)(CO)C(C(=O)NCCC(=O)O)O

IUPAC Inchikey

GHOKWGTUZJEAQD-ZETCQYMHSA-N

Network

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Similarity

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Content

Compound Summary

Pantothenic acid

Description

(R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pantothenic acid. It is a conjugate acid of a (R)-pantothenate.

Synonyms

pantothenic acid; D-pantothenic acid; vitamin B5; 79-83-4; pantothenate;

FlavorDB ID

4244

PUBCHEM ID

6613

Molecular Weight

219.23

Molecular Formula

C9H17NO5

Openeye Can Smiles

CC(C)(CO)C(C(=O)NCCC(=O)O)O

IUPAC Inchikey

GHOKWGTUZJEAQD-ZETCQYMHSA-N

Network

Shown in network

Similarity

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OpenFoodTox: component Pantothenic acid

Reference Details

Reference Details

Reference Details

Reference Details

GC-MS Spectrum

GC-MS Spectrum

GC-MS Spectrum