Pantothenic acid (CED0002266)

Record Information
Version1.0
Creation Date2016-05-25 02:58:23 UTC
Update Date2026-08-25 14:41:04 UTC
Accession NumberCHEM021122
Identification
Common NamePantothenic acid
ClassSmall Molecule
Description
Pantothenic acid (C9H17NO5) is a compound with an average molecular weight of 219.24 g/mol. Pantothenic acid belongs to the alcohols and polyols, a subclass of organooxygen compounds within the organic compounds. It targets the protein pantothenate kinase (coaA). In industrial contexts, the compound is utilized as an anti-static agent, as well as a softener and conditioner, while it serves as a nutrient in environmental roles (PMC8839250). The substance is found in or released from 21 recorded sources. These include healthcare, pharmaceuticals, and veterinary products such as vitamins and cicatrizants; food, food processing, and cookware, including molasses and treatment of molasses, food preservation, fermentation processes for beer, and the preparation of vinegar, wine, or sparkling wine. It is also present in household cleaning and consumer products, including perfumes within detergents and soaps, bleaching agents, cigar cigarettes, non electric simulated smoking devices, other smoking requisites, and two additional sources. Furthermore, it is found in electrical and electronic equipment, such as amplifiers, electric switches, electrodes, radio transmission systems, electrically stimulated smoking devices, and one other source. Recorded exposure routes for pantothenic acid include oral, intravenous, cutaneous, and topical. Health effects associated with the compound include chest pain, fatigue, and irritability (PMC8839250).
Contaminant TypeNot Available
Chemical Structure
Synonyms
ValueSource
(+)-Pantothenic acidChEBI
(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alanineChEBI
Chick antidermatitis factorChEBI
D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanineChEBI
D-(+)-Pantothenic acidChEBI
D-Pantothenic acidChEBI
N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-beta-alanineChEBI
PANTOTHENOIC ACIDChEBI
Vitamin b5ChEBI
(R)-PantothenateKegg
Pantothen pharmaselectKegg
(+)-PantothenateGenerator
(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-b-alanineGenerator
(R)-N-(2,4-Dihydroxy-3,3-dimethyl-1-oxobutyl)-β-alanineGenerator
D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alanineGenerator
D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-β-alanineGenerator
D-(+)-PantothenateGenerator
D-PantothenateGenerator
N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-b-alanineGenerator
N-[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]-β-alanineGenerator
PANTOTHENOateGenerator
(R)-Pantothenic acidGenerator
PantothenateGenerator
b5, VitaminHMDB
Pantothenate, zincHMDB
b 5, VitaminHMDB
Calcium pantothenateHMDB
Pantothenate, calciumHMDB
Vitamin b 5HMDB
DexolHMDB
Zinc pantothenateHMDB
Pantothenic acidChEBI
Chemical FormulaC9H17NO5
Average Molecular Mass219.235 g/mol
Monoisotopic Mass219.111 g/mol
CAS Registry Number79-83-4
IUPAC Name3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acid
Traditional Name(+)-pantothenic acid
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O
InChI IdentifierInChI=1S/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)/t7-/m0/s1
InChI KeyGHOKWGTUZJEAQD-ZETCQYMHSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as secondary alcohols. Secondary alcohols are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
KingdomOrganic compounds
Super ClassOrganic oxygen compounds
ClassOrganooxygen compounds
Sub ClassAlcohols and polyols
Direct ParentSecondary alcohols
Alternative Parents
Substituents
  • Secondary alcohol
  • Carboximidic acid
  • Carboximidic acid derivative
  • Carboxylic acid derivative
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Polyol
  • Propargyl-type 1,3-dipolar organic compound
  • Organic 1,3-dipolar compound
  • Carbonyl group
  • Primary alcohol
  • Organic nitrogen compound
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility60.5 g/LALOGPS
logP-1.1ALOGPS
logP-1.4ChemAxon
logS-0.56ALOGPS
pKa (Strongest Acidic)4.35ChemAxon
pKa (Strongest Basic)-2.8ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area106.86 ŲChemAxon
Rotatable Bond Count6ChemAxon
Refractivity51.51 m³·mol⁻¹ChemAxon
Polarizability21.99 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
GC-MSGC-MS Spectrumsplash10-0zfu-1950000000-e17ccf50735fd5171fc4Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0f6t-3921000000-6a2222a87b5ffd328ceeNot AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udi-0920000000-9785638e8fe83ade2497Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0zfr-0920000000-5f3d78d9671cf3e9e436Not AvailableView Spectrum
GC-MSGC-MS Spectrumsplash10-0udi-0910000000-1ad24073d09589d69733Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-0udi-8910000000-e9fba0c36e325b52e91fNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS Spectrumsplash10-00fs-9665200000-38141a3794d53c37aba5Not AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
Predicted GC-MSPredicted GC-MS SpectrumNot AvailableNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-0090000000-4077cb3290a3d501c967Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9520000000-21cefac627d830ed5bbfNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9400000000-d7cac2e845877b5d4c45Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-a56de6ea4cc94ead9287Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-958b1047fc59d5fa55abNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9100000000-5cf3012f98b80b72b87cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ks-9330000000-5220625c440a0e4d0e1aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ks-9330000000-da413d79b085b05c74faNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9410000000-e4934ca5cda48554f8bcNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-d74155da6ca6fff432c5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9560000000-663aa7cea0b521907df1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9200000000-475c18425c9352988ee1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-01bc-9000000000-afcfa162e86332d3cfa2Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-014i-9000000000-421f28522574e5fa8eaeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0f6x-9470000000-cfd10935dbbb59770f3fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-460a4bec2421708c0e18Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2190000000-6eec23d0d7031fc1e28bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9460000000-a6391c9eace085a7cd68Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9450000000-f677ff82e7d7f3f58ba1Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9530000000-306c232e4d3a79ff2081Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dm-9200000000-443ac0e5946f04319299Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9400000000-4213726c76dc4b6349f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9100000000-f27c99297f2de40849edNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0090000000-aa7c8c9db82ebe425bddNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-7490000000-56373879beab9f264516Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9400000000-fdd4dc872884400e9e0dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9300000000-310a7779b69250bbe189Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-03dl-2900000000-81464966025c10efc13fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9510000000-035429af9d6f651864d8Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0600-9000000000-fb041f0d99a550caa6b6Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9440000000-7a4d39d3a6b9fd347652Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9200000000-ef90e6917d2f5ab3024dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9630000000-816c6935aa3279304e44Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-0190000000-106eacf52273c16d6beeNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9530000000-f706d31de429136ebf8cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006y-9200000000-1f7b2cd958d720f9f2e5Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-228d02cb2a703fd62766Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-22750edb15a7d4e0ccd0Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0596-9000000000-b53b57fe0d0e1a77b6f3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ks-9350000000-7035fcf3bc77576000a4Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9200000000-38bad46351c1e6788c6dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-38b351456407b82a4b51Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0072-9300000000-839b1c84c1f73d61ec6eNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-1558132a2b88382c3dc7Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-05fu-9000000000-3091b3251e3871475931Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9460000000-ba7868144dc0c82d2aafNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0007-9100000000-6099e19de3e1cc0a3c55Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9460000000-cc1b8ca51b9e933d3a5dNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00ds-9100000000-42dc741fc4abd3f8447cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0002-2900000000-990f14eee92df97df36fNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9000000000-8554c7a652fe8b016dc3Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000j-9510000000-cb745dd8e7b25ec8bb62Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9320000000-d49998d81d25ab718c38Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9200000000-99e868a92643ee73f2beNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-346d6b0d31184889785aNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-007d-9300000000-a987b1b59f6d1e6d4f46Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-2190000000-6eec23d0d7031fc1e28bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-8390000000-678041e7c4a0a9ec8a7bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00dl-9000000000-4aab8950b323b602b872Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-000i-9330000000-974a3b95a3efb006c530Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-006x-9100000000-d4bb54f1d8b3e8c1b6a9Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9300000000-f454d4fe06750bdd3020Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-00di-9100000000-8340e818c7b8dd383456Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9530000000-25d85ae9a0211ec72f8cNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-052f-9000000000-8ba7e5069d82475fe076Not AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0006-9300000000-eca91a56b6996572239bNot AvailableView Spectrum
LC-MS/MSLC-MS/MS Spectrumsplash10-0fkc-6390000000-63181f7a3c6d9c484148Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fe0-9230000000-5d3b471f56b2c2e5535bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dr-9200000000-12b30ec690e561fbee15Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-006x-9000000000-167b8eb76324b5c3850aNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-014i-3790000000-e2e626db270df267d7dbNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fki-7910000000-01cff3f952409e9e9550Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00di-9200000000-a56f834482e2844f6924Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-000i-9030000000-302c1f4a34d0f0b2e23bNot AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00du-9100000000-8fbc3084c5ac0b613a92Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9100000000-758a57021c409e31b552Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-0fkc-4190000000-dc09af0f694eda367a87Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9100000000-57333ab8f0a123efa137Not AvailableView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrumsplash10-00dl-9000000000-10a39241a1565991d8b7Not AvailableView Spectrum
1D NMR13C NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
1D NMR1H NMR Spectrum (1D, D2O, predicted)Not AvailableNot AvailableView Spectrum
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
5748.0Log mg/kg[3200:10000]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
fatigueassociated_withNot AvailablePMC8839250
irritabilityassociated_withNot AvailablePMC8839250
chest painassociated_withNot AvailablePMC8839250
Exposure Sources
Source IDSourceSectorReference
233BrushesPersonal care & cosmeticsNot Available
265VitaminsHealthcare, pharmaceuticals & veterinary productsNot Available
302CicatrizantsHealthcare, pharmaceuticals & veterinary productsNot Available
505AmplifiersElectrical & Electronic EquipmentNot Available
517Electric SwitchesElectrical & Electronic EquipmentNot Available
518Electrically Stimulated Smoking DevicesElectrical & Electronic EquipmentNot Available
519ElectrodesElectrical & Electronic EquipmentNot Available
530Radio Transmission SystemsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
544Fermentation Processes For BeerFood, food processing & cookwareNot Available
545Food PreservationFood, food processing & cookwareNot Available
546Molasses And Treatment Of MolassesFood, food processing & cookwareNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
549Preparation Of Wine Or Sparkling WineFood, food processing & cookwareNot Available
551Processing FishFood, food processing & cookwareNot Available
555Bleaching AgentsHousehold cleaning & consumer productsNot Available
556Cigar CigarettesHousehold cleaning & consumer productsNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
561Perfumes Within Detergents And SoapsHousehold cleaning & consumer productsNot Available
563Soap DetergentsHousehold cleaning & consumer productsNot Available
569Tobacco Smoke FiltersHousehold cleaning & consumer productsNot Available
580Manufacture Preparation Of Tobacco ProductsIndustrial manufacturing & chemical processingNot Available
606Plant Growth RegulatorsAgriculture & land managementNot Available
609AftershavePersonal care & cosmeticsNot Available
610Aftersun ProductsPersonal care & cosmeticsNot Available
611Anti Perspirants Or Body DeoderantsPersonal care & cosmeticsNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
613DepilatoriesPersonal care & cosmeticsNot Available
614Essential Oils Or PerfumesPersonal care & cosmeticsNot Available
615Eye Makeup ProductsPersonal care & cosmeticsNot Available
616Face Mask CosmeticsPersonal care & cosmeticsNot Available
617Lip Care ProductsPersonal care & cosmeticsNot Available
618Lip Makeup ProductsPersonal care & cosmeticsNot Available
619Manicure PedicurePersonal care & cosmeticsNot Available
632ApparelTextiles, leather & furnishingsNot Available
642FootwearTextiles, leather & furnishingsNot Available
643HeadwearTextiles, leather & furnishingsNot Available
650Purses Luggage Hand BagsTextiles, leather & furnishingsNot Available
657Surface Finishing Of LeatherTextiles, leather & furnishingsNot Available
658Touch FastenersTextiles, leather & furnishingsNot Available
661UmbrellasTextiles, leather & furnishingsNot Available
Pathways
8 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structurePantothenate kinase, putativeQ8ILP4Plasmodium falciparum (isolate 3D7)Predicted (SEA)0.311397
Click to view 3D structureExcitatory amino acid transporter 3P51907Rattus norvegicusPredicted (SEA)0.544945
Lysine-specific demethylase 2A structureClick to view 3D structureLysine-specific demethylase 2AQ9Y2K7HumansPredicted (SEA)34.4094
Histone lysine demethylase PHF8 structureClick to view 3D structureHistone lysine demethylase PHF8Q9UPP1HumansPredicted (SEA)3.42537
Click to view 3D structureNeprilysinP07861Rattus norvegicusPredicted (SEA)240.943
Click to view 3D structureN-acetylaspartylglutamate synthase AQ8IXN7HumansPredicted (SEA)13.2344
Gamma-glutamyl hydrolase structureClick to view 3D structureGamma-glutamyl hydrolaseQ92820HumansPredicted (SEA)7.86277
Lysine-specific demethylase 5C structureClick to view 3D structureLysine-specific demethylase 5CP41229HumansPredicted (SEA)112.57
Click to view 3D structureHistamine oxidaseQ59118Arthrobacter globiformisPredicted (SEA)2.56902
Click to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)50.1349
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)719.95
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)999.117
Click to view 3D structureSuccinate receptor 1Q99MT6Mus musculusPredicted (SEA)1.55698
Click to view 3D structureSodium- and chloride-dependent GABA transporter 2P31646Rattus norvegicusPredicted (SEA)6.22794
Egl nine homolog 1 structureClick to view 3D structureEgl nine homolog 1Q9GZT9HumansPredicted (SEA)239.542
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)932.478
Glucagon receptor structureClick to view 3D structureGlucagon receptorP47871HumansPredicted (SEA)525.171
Disks large homolog 4 structureClick to view 3D structureDisks large homolog 4P78352HumansPredicted (SEA)194.39
Click to view 3D structureCytochrome P450 4A4P10611Oryctolagus cuniculusPredicted (SEA)5.3716
Click to view 3D structurePepsin AP00791Sus scrofaPredicted (SEA)322.062
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)2168.33
Click to view 3D structureCathepsin DP80209Bos taurusPredicted (SEA)253.477
Click to view 3D structureNeprilysinP08049Oryctolagus cuniculusPredicted (SEA)558.101
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)1651.26
Click to view 3D structure4-aminobutyrate aminotransferase, mitochondrialP80147Sus scrofaPredicted (SEA)0.778492
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0000210
FooDB IDFDB030151
Phenol Explorer IDNot Available
KNApSAcK IDC00001550
BiGG IDNot Available
BioCyc IDPANTOTHENATE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkPantothenic_Acid
Chemspider ID6361
ChEBI ID46905
PubChem Compound ID6613
Kegg Compound IDC00864
YMDB IDYMDB00203
ECMDB IDECMDB23013
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. Kataoka, Michihiko; Shimizu, Sakayu; Doi, Yukiko; Yamada, Hideaki. Stereospecific reduction of ethyl 2'-ketopantothenate to ethyl D-(+)-pantothenate with microbial cells as a catalyst. Applied and Environmental Microbiology (1990), 56(11), 3595-7.
2. Loftus EV Jr, Tremaine WJ, Nelson RA, Shoemaker JD, Sandborn WJ, Phillips SF, Hasan Y: Dexpanthenol enemas in ulcerative colitis: a pilot study. Mayo Clin Proc. 1997 Jul;72(7):616-20.
3. Fry PC, Fox HM, Tao HG: Metabolic response to a pantothenic acid deficient diet in humans. J Nutr Sci Vitaminol (Tokyo). 1976;22(4):339-46.
4. Shoemaker JD, Elliott WH: Automated screening of urine samples for carbohydrates, organic and amino acids after treatment with urease. J Chromatogr. 1991 Jan 2;562(1-2):125-38.
5. Roth-Maier DA, Wauer A, Stangl GI, Kirchgessner M: Precaecal digestibility of niacin and pantothenic acid from different foods. Int J Vitam Nutr Res. 2000 Jan;70(1):8-13.
6. Preibisz J, Chlewicka I: [Digitalis treatment in acute myocardial infarct. Determination of serum drug levels]. Pol Arch Med Wewn. 1977 Dec;58(6):585-91.
7. Guilarte TR: A radiometric microbiological assay for pantothenic acid in biological fluids. Anal Biochem. 1989 Apr;178(1):63-6.
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