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(R)-Pantothenic acid (PC000166)

Record Information
Version1.0
Creation date2015-10-09 22:29:00 UTC
Update date2017-01-19 02:36:15 UTC
FoodComEx IDPC000166
FoodDB RecordNot Available
Chemical Information
Name(R)-Pantothenic acid
DescriptionPresent in liver tissue and widespreat in plants in small amts. Pantothenic acid is a water-soluble vitamin. For many animals, pantothenic acid is an essential nutrient. Only the dextrorotatory (D) isomer of pantothenic acid possesses biologic activity. The levorotatory (L) form may antagonize the effects of the dextrorotatory isomer.
CAS Number79-83-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(+)-pantothenatebiospider
(+)-pantothenic acidbiospider
(d)-(+)-pantothenatebiospider
(d)-(+)-pantothenic acidbiospider
(R)-N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-beta-alaninebiospider
(r)-pantothenatebiospider
(r)-pantothenic acidbiospider
3-[(2R)-2,4-dihydroxy-3,3-dimethylbutanamido]propanoic acidbiospider
Chick antidermatitis factorHMDB
D-pantothenatebiospider
D-pantothenic acidbiospider
D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-b-alaninebiospider
D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alaninebiospider
Delta-pantothenatebiospider
Delta-pantothenic acidbiospider
N-(2,4-Dihydroxy-3,3-dimethylbutanoyl)-b-alanineGenerator
N-(2,4-Dihydroxy-3,3-dimethylbutanoyl)-beta-alanineChEBI
N-(2,4-Dihydroxy-3,3-dimethylbutanoyl)-β-alanineGenerator
N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alaninebiospider
Pantothenic acidChEBI
Pantothenic acid, D- (8CI)biospider
Vitamin B5manual
Chemical FormulaNot Available
IUPAC nameNot Available
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)
InChI KeyGHOKWGTUZJEAQD-UHFFFAOYSA-N
Isomeric SMILESCC(C)(CO)C(O)C(=O)NCCC(O)=O
Average Molecular Weight219.235
Monoisotopic Molecular Weight219.110672659
Chemical Taxonomy
Description Belongs to the class of organic compounds known as beta amino acids and derivatives. These are amino acids having a (-NH2) group attached to the beta carbon atom.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
Sub ClassAmino acids, peptides, and analogues
Direct ParentBeta amino acids and derivatives
Alternative Parents
Substituents
  • Beta amino acid or derivatives
  • Fatty amide
  • Monosaccharide
  • N-acyl-amine
  • Fatty acyl
  • Carboxamide group
  • Secondary carboxylic acid amide
  • Secondary alcohol
  • Carboxylic acid
  • Monocarboxylic acid or derivatives
  • Organonitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Alcohol
  • Organic oxygen compound
  • Carbonyl group
  • Organic nitrogen compound
  • Organooxygen compound
  • Primary alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water Solubility1000 mg/mLMERCK INDEX (1996)
Melting Point< 25 oC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 2466AC
Toronto Research Chemicals P190305