Pantothenate synonyms

Pantothenic acid; Vitamin B3; Vitamin B5; (R)-Pantothenate; PANTOTHENIC ACID; beta-Alanine, N-(2,4-dihydroxy-3,3-dimethyl-1-oxobutyl)-, (R)- (9CI); N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; BRN 1727064; Chick antidermatitis factor; D(+)-N-(2,4-Dihydroxy-3,3-dimethylbutyryl)-beta-alanine; D-Pantothenic acid


Graphical representations:


View large 3D structure

Molecular Formula: C9H17NO5

Natural Isotopic Abundance Mass: 219.2349800000

Mono-Isotopic Molecular Masses:

  • C12N14: 219.110672661
  • C13N14: 228.140866202
  • C12N15: 220.107707555
  • C13N15: 229.1379010948

InChI string: InChI=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

IUPAC: 3-[[(2S)-2,4-dihydroxy-3,3-dimethyl-butanoyl]amino]propanoic acid

PubChem Compound (CID): 6613
KEGG Compound ID: C00864
ChemIDplus: 000079834
CAS Registry number: 79-83-4 3563-85-7
EINECS: 201-229-0
HSDB: 1020
Beilstein Handbook Reference: 4-04-00-02569
PDB Compound ID: PAU

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73,