CHEBI:27373 - pantothenol

ChEBI IDCHEBI:27373
ChEBI Namepantothenol
Stars
DefinitionA monocarboxylic acid amide that is 3,3-dimethylbutanamide substituted by hydroxy groups at positions 2 and 4 and a 3-hydroxypropyl group at the carbomyl nitrogen.
Secondary ChEBI IDsCHEBI:7917, CHEBI:25849
Last Modified22 February 2017
DownloadsMolfile
FormulaC9H19NO4
Net Charge0
Average Mass205.254
Monoisotopic Mass205.13141
SMILESCC(C)(CO)[C@@H](O)C(=O)NCCCO
InChIInChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1
InChIKeySNPLKNRPJHDVJA-ZETCQYMHSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
cholinergic drug  Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons.
provitamin  A substance that can be converted into a vitamin by animal tissues.
Application:
cholinergic drug  Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons.
ChEBI Ontology
Outgoing Relation(s)
pantothenol (CHEBI:27373) has role cholinergic drug (CHEBI:38323)
pantothenol (CHEBI:27373) has role provitamin (CHEBI:50188)
pantothenol (CHEBI:27373) is a amino alcohol (CHEBI:22478)
pantothenol (CHEBI:27373) is a monocarboxylic acid amide (CHEBI:29347)
IUPAC Name 
(2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide
INN  Source
dexpanthenolChemIDplus
Synonyms  Source
2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamideKEGG COMPOUND
BepanthenKEGG COMPOUND
BepantheneKEGG COMPOUND
BepantolKEGG COMPOUND
CozymeKEGG COMPOUND
D-(+)-2,4-Dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutyramideKEGG COMPOUND
Brand Name  Source
IlopanKEGG DRUG
Manual XrefsDatabases
838DrugCentral
C05944KEGG COMPOUND
CH227706Patent
D00193KEGG DRUG
DexpanthenolWikipedia
GB582156Patent
US2413077Patent
Registry NumbersSources
Reaxys:1724947Reaxys
CAS:81-13-0KEGG COMPOUND
Citations